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29639-32-5 | 2H-1-Benzopyran-2-one, 4-methyl-7-[(phenylmethyl)amino]-
CAS No: 29639-32-5 Catalog No: AG002YYE MDL No:
Product Description
Catalog Number:
AG002YYE
Chemical Name:
2H-1-Benzopyran-2-one, 4-methyl-7-[(phenylmethyl)amino]-
CAS Number:
29639-32-5
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
7-(benzylamino)-4-methylchromen-2-one
InChI:
InChI=1S/C17H15NO2/c1-12-9-17(19)20-16-10-14(7-8-15(12)16)18-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
InChI Key:
OOAXQONWKWNFSK-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc(cc2)NCc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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