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20811-42-1 | 4H-1-Benzopyran-4-one, 3-amino-2,3-dihydro-
CAS No: 20811-42-1 Catalog No: AG002JHQ MDL No:MFCD09966057
Product Description
Catalog Number:
AG002JHQ
Chemical Name:
4H-1-Benzopyran-4-one, 3-amino-2,3-dihydro-
CAS Number:
20811-42-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09966057
IUPAC Name:
3-amino-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H9NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5,10H2
InChI Key:
GQGXWCHTYSBDRU-UHFFFAOYSA-N
SMILES:
NC1COc2c(C1=O)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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