AG003I47

42287-94-5 | 3-(4-Cyanophenyl)propanoic acid

AG003I47

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CAS Number	42287-94-5
Catalog Number	AG003I47(AGN-PC-0WA7EC)
Chemical Name	3-(4-Cyanophenyl)propanoic acid
IUPAC Name	3-(4-cyanophenyl)propanoic acid
InChI	InChI=1S/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
InChI Key	RHIGOXBTMPLABF-UHFFFAOYSA-N
MDL Number	MFCD08234823
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(#N)C1=CC=C(C=C1)CCC(=O)O
Synonyms	3-(4-cyanophenyl)propanoic Acid, 42287-94-5, 3-(4-Cyano-phenyl)-propionic acid, 3-(4-cyanophenyl)-propionic acid, MFCD08234823, 4-Cyanohydrocinnamic acid, Benzenepropanoic acid,4-cyano-, SCHEMBL1337387, 3-(4-cyanophenyl)propionic acid, CTK4I5987, KS-00000NAL, DTXSID60429430, 3-(p-cyanophenyl)-propionic acid, RHIGOXBTMPLABF-UHFFFAOYSA-N, 3-(4-cyano-phenyl)propionic Acid, 4-CYANOBENZENEPROPANOIC ACID, AC1Q7589, ZINC8231195, ANW-50167, SBB064067, STL302069, 4-(2-hydroxycarbonylethyl)benzonitrile, AKOS001224393, CC-1625, CS-W008014, MB05759, MCULE-6891261134, TRA0040860, 3-(4-Cyanophenyl)propionic acid, 97%, NCGC00338188-01, AJ-57385, AK-45844, BC687788, BR-45844, DS-13665, AB0001022, DB-070280, ST2417369, TC-066386, 3-(4-cyanophenyl)propanoic acid, AldrichCPR, 4CH-015355, AM20061103, FT-0084134, FT-0660004, W6214, EN300-24305, S-1082, AB01329844-02, 287C945, A825838, AE-562/43460518, I01-3881, I14-5748, F9995-1104, 1-(Thiazol-2-yl)piperazine, C10H9NO2, ACN-042125, CID9361742, BENZENEPROPANOIC ACID, 4-CYANO-,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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