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114415-25-7 | Carbamic acid, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, methyl ester
CAS No: 114415-25-7 Catalog No: AG000BAM MDL No:MFCD00520933
Product Description
Catalog Number:
AG000BAM
Chemical Name:
Carbamic acid, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, methyl ester
CAS Number:
114415-25-7
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD00520933
IUPAC Name:
methyl N-(4-methyl-2-oxochromen-7-yl)carbamate
InChI:
InChI=1S/C12H11NO4/c1-7-5-11(14)17-10-6-8(3-4-9(7)10)13-12(15)16-2/h3-6H,1-2H3,(H,13,15)
InChI Key:
JIOMFGXJXANDTA-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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