AG001MC7

1501-05-9 | Benzenepentanoic acid, δ-oxo-

AG001MC7

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CAS Number	1501-05-9
Catalog Number	AG001MC7(AGN-PC-0Q49DL)
Chemical Name	Benzenepentanoic acid, δ-oxo-
EC Number	216-113-5
IUPAC Name	5-oxo-5-phenylpentanoic acid
InChI	InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChI Key	SHKWSBAVRQZYLE-UHFFFAOYSA-N
MDL Number	MFCD00004411
Molecular Formula	C11H12O3
Molecular Weight	192.2112
NSC Number	10139
SMILES	O=C(O)CCCC(=O)c1ccccc1
UNII	595CFD21KA
Synonyms	4-benzoylbutyrate, 4-benzoylbutyric acid, 4-Benzoylbutyric acid, 5-Oxo-5-phenylpentanoic acid, 1501-05-9, 5-Oxo-5-phenylvaleric acid, Benzenepentanoic acid, .delta.-oxo-, 4-BenzoYl-Butyric Acid, 4 - Benzoylbutyric acid, timtec-bb sbb007811, UNII-595CFD21KA, 5-oxo-5-phenyl-pentanoic acid, 595CFD21KA, Benzenepentanoic acid, delta-oxo-, SHKWSBAVRQZYLE-UHFFFAOYSA-N, MFCD00004411, FR-0383, AK-81827, 4-Benzoylbutyric acid;4-Benzoylbutanoic acid, AP-406/42754026, W-108078, EINECS 216-113-5, 4-Benzoylbutyricacid, NSC 10139, akos bb-9265, AC1L2KSJ, ChemDiv3_000839, AC1Q5F4O, AC1Q75BY, ACMC-1BO77, Oprea1_086414, delta-oxobenzenepentanoic acid, labotest-bb lt00645576, 4-(4'-benzoyl)butyric acid, 4-Benzoylbutyric acid, 97%, SCHEMBL503304, 5-keto-5-phenyl-valeric acid, 4-Benzoylbutyric acid, 98+%, 5-Oxo-5-phenylpentanoic acid #, CTK3J3018, SHKWSBAVRQZYLE-UHFFFAOYSA-, DTXSID50164469, HMS1475G03, ZINC132802, 5-oxo-5-phenylvaleric acid 95+%, 5-Oxo-5-phenylvaleric acid, 96%, KS-00000CW2, NSC10139, 7009c, 7508AA, ANW-21252, NSC-10139, QC-657, SBB007811, STK386172, AKOS000813948, CS-W004848, LS10601, MCULE-1720844080, RTC-030026, VZ28352, IDI1_019805, NCGC00341423-01, AJ-12141, AN-49338, Benzenepentanoic acid, delta-oxo- (9CI), CC-18011, SC-46406, SY023883, AB0063229, AX8000544, DB-006665, TC-030026, B2768, EU-0001968, FT-0600844, ST24033077, ST50407887, MFCD00004411 (97%), AB01332132-02, C-08387, SR-01000403987, I04-9474, SR-01000403987-1, BRD-K86245308-001-01-0, F0722-1840, Z1954800849, InChI=1/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14), Methyl 4-chloroformylbutyrate, C11H12O3, CID73914, AR-1G1060, ACN-049698, C11-H12-O3, 4-Benzoylbutyric acid, 97% - 25G 25g, 1523-12-2,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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