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142166-01-6 | 2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-, methyl ester
CAS No: 142166-01-6 Catalog No: AG001HVH MDL No:MFCD11848180
Product Description
Catalog Number:
AG001HVH
Chemical Name:
2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-, methyl ester
CAS Number:
142166-01-6
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD11848180
IUPAC Name:
methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
InChI:
InChI=1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3
InChI Key:
QHAIQLAFSPRIGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)OCCN2
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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