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125239-90-9 | 2H-1-Benzopyran-2-one, 3-(methylamino)-
CAS No: 125239-90-9 Catalog No: AG000NEC MDL No:
Product Description
Catalog Number:
AG000NEC
Chemical Name:
2H-1-Benzopyran-2-one, 3-(methylamino)-
CAS Number:
125239-90-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
3-(methylamino)chromen-2-one
InChI:
InChI=1S/C10H9NO2/c1-11-8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6,11H,1H3
InChI Key:
USSJFDYBXMCUCR-UHFFFAOYSA-N
SMILES:
CNc1cc2ccccc2oc1=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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