AG006TPH

90267-85-9 | 1H-Pyrrole-1-heptanoic acid, 2,5-dihydro-2,5-dioxo-

AG006TPH

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CAS Number	90267-85-9
Catalog Number	AG006TPH(AGN-PC-0N5QG9)
Chemical Name	1H-Pyrrole-1-heptanoic acid, 2,5-dihydro-2,5-dioxo-
IUPAC Name	7-(2,5-dioxopyrrol-1-yl)heptanoic acid
InChI	InChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,15,16)
InChI Key	DHELHOUTNAEDJP-UHFFFAOYSA-N
MDL Number	MFCD00941277
Molecular Formula	C11H15NO4
Molecular Weight	225.2411
SMILES	O=C(O)CCCCCCN1C(C=CC1=O)=O
Synonyms	90267-85-9, 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid, CHEMBL47645, 1H-Pyrrole-1-heptanoic acid, 2,5-dihydro-2,5-dioxo-, SCHEMBL3291535, CTK3I2589, DTXSID30441083, DHELHOUTNAEDJP-UHFFFAOYSA-N, ZINC1542864, AKOS000185608, NE54822, FT-0766338, EN300-75944, CID10513373, 7-(2,5-dioxopyrrol-1-yl)heptanoic Acid,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.1g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.244g/mol
Monoisotopic Mass	225.1g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	74.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number