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Structure

(4-Pentyloxyphenyl)boronic acid|

CAS
146449-90-3
Catalog Number
ACM146449903
Category
Boronic Acids
Molecular Weight
208.06g/mol
Molecular Formula
C11H17BO3

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Specification

IUPAC Name
(4-pentoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OCCCCC)(O)O
InChI
InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3
InChI Key
WHFKSJLAGACWMF-UHFFFAOYSA-N
Complexity
156
Covalently-Bonded Unit Count
1
Exact Mass
208.127075g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
15
Monoisotopic Mass
208.127075g/mol
Rotatable Bond Count
6
What is the molecular formula of (4-Pentyloxyphenyl)boronic acid?

The molecular formula is C11H17BO3.

What is the molecular weight of (4-Pentyloxyphenyl)boronic acid?

The molecular weight is 208.06 g/mol.

What is the IUPAC name of (4-Pentyloxyphenyl)boronic acid?

The IUPAC name is (4-pentoxyphenyl)boronic acid.

What is the InChI of (4-Pentyloxyphenyl)boronic acid?

The InChI is InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3.

What is the InChIKey of (4-Pentyloxyphenyl)boronic acid?

The InChIKey is WHFKSJLAGACWMF-UHFFFAOYSA-N.

What is the canonical SMILES of (4-Pentyloxyphenyl)boronic acid?

The canonical SMILES is B(C1=CC=C(C=C1)OCCCCC)(O)O.

What is the CAS number of (4-Pentyloxyphenyl)boronic acid?

The CAS number is 146449-90-3.

What is the European Community (EC) number of (4-Pentyloxyphenyl)boronic acid?

The EC number is 834-832-8.

What is the monoisotopic mass of (4-Pentyloxyphenyl)boronic acid?

The monoisotopic mass is 208.1270746 g/mol.

Is (4-Pentyloxyphenyl)boronic acid a canonicalized compound?

Yes, (4-Pentyloxyphenyl)boronic acid is canonicalized.

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