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1635-31-0 | 2H-1-Benzopyran-2-one, 3-amino-
CAS No: 1635-31-0 Catalog No: AG001U5Y MDL No:MFCD00016965
Product Description
Catalog Number:
AG001U5Y
Chemical Name:
2H-1-Benzopyran-2-one, 3-amino-
CAS Number:
1635-31-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00016965
IUPAC Name:
3-aminochromen-2-one
InChI:
InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2
InChI Key:
QWZHDKGQKYEBKK-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1N
EC Number:
216-659-4
UNII:
PC6801C293
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
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