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Structure

6-Ethoxy-2-naphthaleneboronic acid

CAS
352525-98-5
Catalog Number
ACM352525985
Category
Boronic Acids
Molecular Weight
216.04g/mol
Molecular Formula
C12H13BO3

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Specification

Synonyms
AKOS BRN-0973;6-ETHOXYNAPHTHALENE-2-BORONIC ACID;6-ETHOXY-2-NAPHTHALENEBORONIC ACID;Boronic acid, (6-ethoxy-2-naphthalenyl)- (9CI);6-ethoxy-2-naphthylboronicacid;6-Ethoxynaphthalene-2-boronic acid 98%;(6-Ethoxynaphthalen-2-yl)boronic acid;Boronic acid,B-(
IUPAC Name
(6-ethoxynaphthalen-2-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)OCC)(O)O
InChI
InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3
InChI Key
INXXVGFSXYJGHI-UHFFFAOYSA-N
Complexity
222
Covalently-Bonded Unit Count
1
Exact Mass
216.095774g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
16
Monoisotopic Mass
216.095774g/mol
Rotatable Bond Count
3
What is the molecular formula of 6-Ethoxy-2-naphthaleneboronic acid?

The molecular formula of 6-Ethoxy-2-naphthaleneboronic acid is C12H13BO3.

What is the molecular weight of 6-Ethoxy-2-naphthaleneboronic acid?

The molecular weight of 6-Ethoxy-2-naphthaleneboronic acid is 216.04 g/mol.

What is the IUPAC name of 6-Ethoxy-2-naphthaleneboronic acid?

The IUPAC name of 6-Ethoxy-2-naphthaleneboronic acid is (6-ethoxynaphthalen-2-yl)boronic acid.

What is the InChI of 6-Ethoxy-2-naphthaleneboronic acid?

The InChI of 6-Ethoxy-2-naphthaleneboronic acid is InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3.

What is the InChIKey of 6-Ethoxy-2-naphthaleneboronic acid?

The InChIKey of 6-Ethoxy-2-naphthaleneboronic acid is INXXVGFSXYJGHI-UHFFFAOYSA-N.

What is the Canonical SMILES of 6-Ethoxy-2-naphthaleneboronic acid?

The Canonical SMILES of 6-Ethoxy-2-naphthaleneboronic acid is B(C1=CC2=C(C=C1)C=C(C=C2)OCC)(O)O.

What is the CAS number of 6-Ethoxy-2-naphthaleneboronic acid?

The CAS number of 6-Ethoxy-2-naphthaleneboronic acid is 352525-98-5.

What is the European Community (EC) number of 6-Ethoxy-2-naphthaleneboronic acid?

The European Community (EC) number of 6-Ethoxy-2-naphthaleneboronic acid is 623-788-3.

What is the DSSTox Substance ID of 6-Ethoxy-2-naphthaleneboronic acid?

The DSSTox Substance ID of 6-Ethoxy-2-naphthaleneboronic acid is DTXSID90405141.

Is 6-Ethoxy-2-naphthaleneboronic acid a canonicalized compound?

Yes, 6-Ethoxy-2-naphthaleneboronic acid is a canonicalized compound.

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