AG003HCS

2037-95-8 | 2H-1,3-Benzoxazine-2,4(3H)-dione

AG003HCS

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CAS Number	2037-95-8
Catalog Number	AG003HCS(AGN-PC-0JKCRV)
Chemical Name	2H-1,3-Benzoxazine-2,4(3H)-dione
EC Number	606-541-4
IUPAC Name	1,3-benzoxazine-2,4-dione
InChI	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChI Key	OAYRYNVEFFWSHK-UHFFFAOYSA-N
MDL Number	MFCD00600566
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
SMILES	O=c1c2c(oc(=O)[nH]1)cccc2
UNII	685H843ULU
Synonyms	1,3-benzoxazine-2,4-dione, 2H-1,3-benzoxazin-4(3H)-one, 2H-1,3-benzoxazine-2,4(3H)-dione, carsalam, Carsalam, 2037-95-8, 2H-1,3-BENZOXAZINE-2,4(3H)-DIONE, Beaprine, 2H-Benzo[e][1,3]oxazine-2,4(3H)-dione, Ruhmal, Oxophenhydroxazine, Oxobenzhydroxazin, Oxophenhydroxazin, carbonylsalicylamide, 1,3-Benzoxazine-2,4-dione, Carsalame, Carsalamum [INN-Latin], Carsalamo [INN-Spanish], Carsalam [INN:BAN:DCF], UNII-685H843ULU, NSC 36166, 4H-1,3-Benzoxazine-2,4(3H)-dione, BRN 0136767, AI3-25161, OAYRYNVEFFWSHK-UHFFFAOYSA-N, 685H843ULU, NCGC00166265-01, AK-55016, 3,4-dihydro-2H-1,3-benzoxazine-2,4-dione, DSSTox_CID_26584, DSSTox_RID_81742, DSSTox_GSID_46584, AJ-333/25006179, Carsalamum, Carsalamo, 3H-benzo[e]1,3-oxazine-2,4-dione, CAS-2037-95-8, SR-01000392668, OXYPHENHYDRAZINE, AC1L27KW, 2H-1,4(3H)-dione, 4H-1,4(3H)-dione, SCHEMBL26521, 4-27-00-03326 (Beilstein Handbook Reference), MLS001249437, ZINC1098, CHEMBL1720051, DTXSID3046584, SCHEMBL17844931, CTK1A2878, KS-00000MDH, CHEBI:134794, HMS3264N17, Pharmakon1600-01504504, HY-B1047, NSC36166, Tox21 112383, Tox21_112383, 0445AB, ANW-72135, MFCD00600566, NSC-36166, NSC758885, s4555, SBB003929, AKOS015917497, Tox21_112383_1, ACM2037958, CCG-213935, CS-4568, FCH1117315, MCULE-4932826327, NSC-758885, NCGC00166265-02, AJ-07960, AN-50305, AS-10042, LS-41756, SC-73365, SMR000718659, SBI-0207074.P001, AX8060608, EU-0067206, ST51038424, 2H-1,3-Benzoxazine-2,4(3H)-dione, 98%, A16429, AB00632416_03, I14-9607, J-013257, SR-01000392668-1, SR-01000392668-2, BRD-K13238618-001-01-8, InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11, C8H5NO3, Carsalam [BAN:DCF:INN], 1,4-DIONE, C8-H5-N-O3, CID16258, 2H-1,3-BENZOXAZINE-2,4 -DIONE, 1,3-BENZOXAZINE-2,4-(3H)-DIONE, CSA,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.132g/mol
Monoisotopic Mass	163.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number