AG003434

502-50-1 | 4-Oxoheptanedioic acid

AG003434

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WARNING This product is not for human or veterinary use.

CAS Number	502-50-1
Catalog Number	AG003434(AGN-PC-0JM12W)
Chemical Name	4-Oxoheptanedioic acid
EC Number	207-941-8
IUPAC Name	4-oxoheptanedioic acid
InChI	InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
InChI Key	UDDSEESQRGPVIL-UHFFFAOYSA-N
MDL Number	MFCD00002798
Molecular Formula	C7H10O5
Molecular Weight	174.1513
NSC Number	16642
SMILES	O=C(O)CCC(CCC(O)=O)=O
Synonyms	4-Oxoheptanedioic acid, 4-Ketopimelic acid, 502-50-1, 4-Oxopimelic acid, 4-Ketopimelic, .gamma.-Ketopimelic acid, Heptanedioic acid, 4-oxo-, UDDSEESQRGPVIL-UHFFFAOYSA-N, 4-Ketopimelic acid, 98%, EINECS 207-941-8, MFCD00002798, ACMC-20amfs, Pimelic acid, 4-keto-, AC1L3TJL, AC1Q5VPR, Heptanedioic acid,4-oxo-, SCHEMBL25203, 4-Oxoheptanedioic acid, 98%, CTK4J2296, DTXSID40198238, NSC16642, ZINC1747135, NSC-16642, AKOS009156632, MCULE-2914369907, NE55139, TC-168751, FT-0704803, KS-00001980, I04-9580, Z1623872122, 4-KETOPIMELICACID, 4-Oxo-1,7-heptanedioic acid, CID95084, AR-1G4285, C7-H10-O5, 51989-25-4,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.152g/mol
Monoisotopic Mass	174.053g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number