AG003MYG

2270-20-4 | 5-Phenylpentanoic acid

AG003MYG

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CAS Number	2270-20-4
Catalog Number	AG003MYG(AGN-PC-00CKHY)
Chemical Name	5-Phenylpentanoic acid
EC Number	218-872-8
IUPAC Name	5-phenylpentanoic acid
InChI	InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChI Key	BYHDDXPKOZIZRV-UHFFFAOYSA-N
MDL Number	MFCD00009109
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	65637
SMILES	O=C(O)CCCCC1=CC=CC=C1
UNII	XYJ5U8LCQ8
Synonyms	5-phenylvaleric acid, phenylvaleric acid, 5-Phenylvaleric acid, 5-PHENYLPENTANOIC ACID, 2270-20-4, Benzenepentanoic acid, Phenylvaleric acid, Phenylpentanoic acid, 5-Phenylvalerate, 5-Phenylvalericacid, Valeric acid, 5-phenyl-, 5-Phenyl-pentanoic acid, UNII-XYJ5U8LCQ8, 5-Phenzylvaleric acid, EINECS 218-872-8, NSC 65637, XYJ5U8LCQ8, BRN 2049062, AI3-05952, CHEBI:40131, BYHDDXPKOZIZRV-UHFFFAOYSA-N, AE-641/04221028, 5PV, Phenylpentanoate, Benzenepentanoate, 5-Phenylpentanoate, 5-Phenyl-pentanoate, Benzenepentanoic-acid, 4-benzylbutyric acid, Benzenepentanoic-acid-, 5-Phenyl Valeric acid, 2ay9, delta-Phenylvaleric acid, ACMC-1CPLU, .delta.-Phenylvaleric acid, AC1L28MF, AC1Q75EZ, NCIOpen2_000153, 5-Phenylvaleric acid, 99%, Benzenepentanoic acid (9CI), 4-09-00-01864 (Beilstein Handbook Reference), SCHEMBL503601, CHEMBL443064, BYHDDXPKOZIZRV-UHFFFAOYSA-, CTK1A3713, KS-00000VYM, DTXSID80177229, HMS3604H10, ALBB-024921, NSC65637, ZINC1692494, ZX-AN023435, ZX-AT010790, 1396AB, ANW-24940, MFCD00004416, NSC-65637, OR4177, SBB069090, AKOS003238607, ACM2270204, DB04051, MCULE-5972199258, AJ-30147, AK-40866, AN-50637, SC-15647, AX8105286, LS-161149, TC-113685, TL8001905, FT-0620766, P1284, R1102, ST24029552, ST45028048, C-33823, J-014818, S04-0066, F2191-0040, Z1741971088, InChI=1/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13), C11H14O2, CID16757, ACN-031603, C11-H14-O2,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number