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121591-81-9 | 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-, methyl ester
CAS No: 121591-81-9 Catalog No: AG0015D3 MDL No:MFCD11878403
Product Description
Catalog Number:
AG0015D3
Chemical Name:
2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-, methyl ester
CAS Number:
121591-81-9
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD11878403
IUPAC Name:
methyl 3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
InChI:
InChI=1S/C10H11NO3/c1-13-10(12)7-3-2-4-8-9(7)11-5-6-14-8/h2-4,11H,5-6H2,1H3
InChI Key:
KKPLKAYMSAGGCN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1NCCO2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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