AG00DFBL

5368-37-6 | 3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid

AG00DFBL

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CAS Number	5368-37-6
Catalog Number	AG00DFBL(AGN-PC-0JOX46)
Chemical Name	3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
IUPAC Name	3-(4-oxo-3H-quinazolin-2-yl)propanoic acid
InChI	InChI=1S/C11H10N2O3/c14-10(15)6-5-9-12-8-4-2-1-3-7(8)11(16)13-9/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChI Key	HYSISEGNFBAVMJ-UHFFFAOYSA-N
MDL Number	MFCD03955531
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
NSC Number	251919
SMILES	O=c1c2c([nH]c(n1)CCC(=O)O)cccc2
Synonyms	5368-37-6, 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, 3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid, 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid, 3,4-Dihydro-4-oxo-, NSC251919, quinazolin-4(3H)-one-2-propanoic acid, Enamine_004755, AC1L7WZ4, AC1Q75AU, MLS000775861, SCHEMBL2718160, CHEMBL1892587, SCHEMBL19953232, CTK1H2249, DTXSID00312256, HYSISEGNFBAVMJ-UHFFFAOYSA-N, HMS1407I03, HMS2754F07, ALBB-030898, ZINC1556709, BBL030181, MFCD03955531, STL374134, STL521303, AKOS000669520, AKOS005202394, AKOS028111280, MCULE-9759862525, NSC-251919, 2-(2-carboxyethyl)quinazolin-4(3h)-one, BS-14054, DA-42158, SMR000370984, 3-(4-hydroxyquinazolin-2-yl)propanoicacid, FT-0667036, EN300-04546, 3,4-Dihydro-4-oxo-2-quinazolinepropanoic Acid, 3,4-Dihydro-4-oxo-2-quinazolinepropionic Acid, 1,4-Dihydro-4-oxo-2-quinazoline-propanoic Acid, 2-Quinazolinepropanoic acid, 1,4-dihydro-4-oxo-, SR-01000353582, 3-(4-HYDROXYQUINAZOLIN-2-YL)PROPANOIC ACID, SR-01000353582-1, 1,4-DIHYDRO-4-OXO-2-QUINAZOLINEPROPANOIC ACID, 3-(4-Oxo-1,4-dihydroquinazolin-2-yl)propanoic acid, Z56869288, 3-(4-oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid, AldrichCPR, 3- -PROPIONICACID, CID317913, 3-(4-OXO-3,4-DIHYDRO-QUINAZOLIN-2-YL)-PROPIONICACID,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number