AG004R9F

851202-96-5 | 3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid

AG004R9F

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CAS Number	851202-96-5
Catalog Number	AG004R9F(AGN-PC-09ROMO)
Chemical Name	3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid
IUPAC Name	3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
InChI	InChI=1S/C9H9NO3/c11-9(12)6-1-2-7-8(5-6)13-4-3-10-7/h1-2,5,10H,3-4H2,(H,11,12)
InChI Key	YCTDKGFOTACSHZ-UHFFFAOYSA-N
MDL Number	MFCD11848178
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	O=C(C1=CC=C2C(OCCN2)=C1)O
Synonyms	851202-96-5, 3,4-Dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid, 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-7-CARBOXYLIC ACID, 3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID, 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylicacid, 2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-, SCHEMBL4290086, CTK3E7410, DTXSID60695259, YCTDKGFOTACSHZ-UHFFFAOYSA-N, KS-000007QI, 3164AC, CD-464, MFCD11848178, ZINC75835135, PB22561, AS-34789, AJ-121970, CS-0051607, Q-4518, 2H-1,4-Benzoxazine-7-carboxylicacid, 3,4-dihydro-, C9H9NO3,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

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