Banner
Structure

3-Carboxyphenylboronic acid pinacol ester

CAS
269409-73-6
Catalog Number
ACM269409736
Category
Boronic Acids
Molecular Weight
248.08g/mol
Molecular Formula
C13H17BO4

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

Synonyms
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID;3-CARBOXYPHENYLBORONIC ACID, PINACOL ESTER;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid,min.97%;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID, MIN. 97%;3-(4,4,5,5-Tetr
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key
OPWAPCOSDAFWFB-UHFFFAOYSA-N
Complexity
324
Covalently-Bonded Unit Count
1
Exact Mass
248.121989g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
18
Monoisotopic Mass
248.121989g/mol
Rotatable Bond Count
2
What is the molecular formula of 3-Carboxyphenylboronic acid pinacol ester?

The molecular formula of 3-Carboxyphenylboronic acid pinacol ester is C13H17BO4.

What is the molecular weight of 3-Carboxyphenylboronic acid pinacol ester?

The molecular weight of 3-Carboxyphenylboronic acid pinacol ester is 248.08 g/mol.

What is the IUPAC name of 3-Carboxyphenylboronic acid pinacol ester?

The IUPAC name of 3-Carboxyphenylboronic acid pinacol ester is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.

What is the InChI of 3-Carboxyphenylboronic acid pinacol ester?

The InChI of 3-Carboxyphenylboronic acid pinacol ester is InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16).

What is the InChIKey of 3-Carboxyphenylboronic acid pinacol ester?

The InChIKey of 3-Carboxyphenylboronic acid pinacol ester is OPWAPCOSDAFWFB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Carboxyphenylboronic acid pinacol ester?

The canonical SMILES of 3-Carboxyphenylboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O.

What is the CAS number of 3-Carboxyphenylboronic acid pinacol ester?

The CAS number of 3-Carboxyphenylboronic acid pinacol ester is 269409-73-6.

What is the European Community (EC) number of 3-Carboxyphenylboronic acid pinacol ester?

The European Community (EC) number of 3-Carboxyphenylboronic acid pinacol ester is 671-852-4.

What is the ChEMBL ID of 3-Carboxyphenylboronic acid pinacol ester?

The ChEMBL ID of 3-Carboxyphenylboronic acid pinacol ester is CHEMBL573441.

What is the formal charge of 3-Carboxyphenylboronic acid pinacol ester?

The formal charge of 3-Carboxyphenylboronic acid pinacol ester is 0.

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.