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138829-22-8 | 2H-1-Benzopyran-2-one, 3-amino-4-(phenylmethyl)-
CAS No: 138829-22-8 Catalog No: AG0019NY MDL No:
Product Description
Catalog Number:
AG0019NY
Chemical Name:
2H-1-Benzopyran-2-one, 3-amino-4-(phenylmethyl)-
CAS Number:
138829-22-8
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3-amino-4-benzylchromen-2-one
InChI:
InChI=1S/C16H13NO2/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(15)18/h1-9H,10,17H2
InChI Key:
IIVGATLVPQJSOT-UHFFFAOYSA-N
SMILES:
Nc1c(=O)oc2c(c1Cc1ccccc1)cccc2
Properties
Complexity:
382
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:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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