AG003JVO

4165-96-2 | 3-Phenylglutaric Acid

AG003JVO

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CAS Number	4165-96-2
Catalog Number	AG003JVO(AGN-PC-0JLQYR)
Chemical Name	3-Phenylglutaric Acid
EC Number	224-016-4
IUPAC Name	3-phenylpentanedioic acid
InChI	InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI Key	RZOKZOYSUCSPDF-UHFFFAOYSA-N
MDL Number	MFCD00002718
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(O)CC(C1=CC=CC=C1)CC(O)=O
Synonyms	3-Phenylglutaric acid, 4165-96-2, 3-Phenylpentanedioic acid, Pentanedioic acid, 3-phenyl-, 3-Phenyl-pentanedioic acid, RZOKZOYSUCSPDF-UHFFFAOYSA-N, MFCD00002718, EINECS 224-016-4, ACMC-20amyr, AC1L2TW8, AC1Q74SO, 3-Phenylpentanedioic acid #, 3-Phenylglutaric acid, 97%, SCHEMBL503819, CHEMBL310821, CTK3I9732, DTXSID30194466, ZINC406946, ALBB-025840, KS-000010FC, ZX-AN024353, SBB063258, AKOS015888419, MCULE-3094062101, RTR-016446, TRA0036038, VZ27223, AS-30102, CC-15890, SY013010, AB0020760, BB0268015, DB-050789, TR-016446, FT-0616341, ST45028994, V1764, MFCD00002718 (95%), M-2126, C-10582, I01-1017, F1993-0033, Glutaric acid, 3-phenyl-, C11H12O4, CID77823, Penta-O-acetyl-beta-D-galactopyranose, ACN-030135, C11-H12-O4, 1,2,3,4,6-Penta-O-acetyl-beta-D-galactopyranose,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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