Benzeneacetic acid, alpha-methyl-, ion(1-)

HCID 5249702
NotesReactions
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Basic information

CAS
39192-74-0
Standard SMILES
CC(C(=O)[O-])c1ccccc1
InChIKey
YPGCWEMNNLXISK-UHFFFAOYSA-M
Molecular formula
C9H9O2-
Average molar mass
149.17 g/mol
Monoisotopic mass
149.06025453

Overview

2-Phenylpropionate is a member of benzenes and a monocarboxylic acid.

Names & identifiers

Preferred name
Benzeneacetic acid, alpha-methyl-, ion(1-)
IUPAC
2-phenylpropanoate

Names & synonyms

DTXSID60128476039192-74-0RefChem:1078351DTXCID001479957Benzeneacetic acid, alpha-methyl-, ion(1-)2-phenylpropanoate2-Phenylpropionate7233-85-42-methyl-2-phenylacetateDTXSID10413208CHEBI:177275YPGCWEMNNLXISK-UHFFFAOYSA-M
Show more names
AKOS024437781Benzeneacetic acid, I+/--methyl-, ion(1-)

Database identifiers

CAS
39192-74-0、7233-85-4
PubChem CID
5249702
DTXSID
DTXSID10413208
ChEBI
CHEBI:177275
Nikkaji
J1.988.049D、J361.901J

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Related reactions

2 records
New reaction record

Compound notes

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