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3- (4-Hydroxyphenyl) propionic Acid

CAT: 0024-sc-209464DSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-209464DSize:1 Kg
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CAS Number
501-97-3

Chemical Information

3-(4-Hydroxyphenyl)propionic acid

Phloretic acid is a hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. It has a role as a plant metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a phloretate.

CAS Number501-97-3
PubChem CID10394
IUPAC Name3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
C1=CC(=CC=C1CCC(=O)O)O
InChI
InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKey
NMHMNPHRMNGLLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Hydroxyphenyl)propionic acid
CAS: 501-97-3
CID: 10394
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FH244723- (4-Hydroxyphenyl) propionic acid
TRC-H950820-50G3-(4-Hydroxyphenyl)propionic Acid
HY-W067425-012- (4-Hydroxyphenyl) propionic acid
280002-013- (4-Hydroxyphenyl) propionic acid hydrazide
231409-013- (4'-Hydroxyphenyl) propionic acid 99+%
TRC-H950821-25MG3-(4-Hydroxyphenyl)propionic Acid-d4
TMIH-0040-013- (4-Hydroxyphenyl) propionic acid-d4
279928-013- (4'-Hydroxyphenyl) propionic acid-OSu
TRC-H949495-10G3-(4-Hydroxyphenyl)propionic Acid Methyl Ester
BII1053- (4-Hydroxyphenyl) propionic acid hydrazide hydrochloride

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