AG003MEY

4144-62-1 | 6-Oxo-6-Phenylhexanoic Acid

AG003MEY

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CAS Number	4144-62-1
Catalog Number	AG003MEY(AGN-PC-0RQG76)
Chemical Name	6-Oxo-6-Phenylhexanoic Acid
IUPAC Name	6-oxo-6-phenylhexanoic acid
InChI	InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChI Key	AIEMSTCGCMIJTI-UHFFFAOYSA-N
MDL Number	MFCD00014380
Molecular Formula	C12H14O3
Molecular Weight	206.2378
NSC Number	11351
SMILES	O=C(O)CCCCC(C1=CC=CC=C1)=O
Synonyms	5-Benzoylpentanoic acid, 6-Oxo-6-phenylhexanoic acid, 4144-62-1, 5-Benzoylvaleric acid, delta-Benzoylvaleric acid, AIEMSTCGCMIJTI-UHFFFAOYSA-N, MFCD00014380, 6-Oxidanylidene-6-Phenyl-Hexanoic Acid, 5-BenzoylpentanoicAcid, 6-Benzoylpentanoic acid, AC1L5COH, ACMC-1AKF8, AC1Q5F4U, AC1Q75EP, AC1Q75EQ, SCHEMBL517169, 6-oxo-6-phenyl-hexanoic acid, 6-Oxo-6-phenyl hexanoic acid, 5-Benzoylpentanoic acid, 97%, 6-keto-6-phenyl-hexanoic acid, 6-Oxo-6-phenylhexanoic acid #, DTXSID40194356, NSC11351, ZINC1712905, 2940AE, ANW-29627, NSC-11351, AKOS005203038, AS01125, CCG-254254, MCULE-1902171676, NE44860, TS-00377, DB-049760, TC-118372, FT-0620038, ST50407994, EN300-43086, KS-00001282, I04-12967, I14-62200, Z444309972, 5VO, C12H14O3, AR-1H2499, CID223595, B2182, 5402-20-0,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H319
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

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