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24526-93-0 | 2H-1-Benzopyran-2-one, 4-[(3-methylphenyl)amino]-
CAS No: 24526-93-0 Catalog No: AG002OFB MDL No:
Product Description
Catalog Number:
AG002OFB
Chemical Name:
2H-1-Benzopyran-2-one, 4-[(3-methylphenyl)amino]-
CAS Number:
24526-93-0
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
4-(3-methylanilino)chromen-2-one
InChI:
InChI=1S/C16H13NO2/c1-11-5-4-6-12(9-11)17-14-10-16(18)19-15-8-3-2-7-13(14)15/h2-10,17H,1H3
InChI Key:
NKTKKMMEIZJZDV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Nc1cc(=O)oc2c1cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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