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119980-56-2 | 3(2H)-Benzofuranone, 2-amino-2-(phenylmethyl)-
CAS No: 119980-56-2 Catalog No: AG000PYW MDL No:
Product Description
Catalog Number:
AG000PYW
Chemical Name:
3(2H)-Benzofuranone, 2-amino-2-(phenylmethyl)-
CAS Number:
119980-56-2
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-amino-2-benzyl-1-benzofuran-3-one
InChI:
InChI=1S/C15H13NO2/c16-15(10-11-6-2-1-3-7-11)14(17)12-8-4-5-9-13(12)18-15/h1-9H,10,16H2
InChI Key:
MSERJHXYHPXSEP-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OC1(N)Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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