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89296-03-7 | 4H-1-Benzopyran-4-one, 2-methyl-3-phenyl-, oxime
CAS No: 89296-03-7 Catalog No: AG0040D8 MDL No:
Product Description
Catalog Number:
AG0040D8
Chemical Name:
4H-1-Benzopyran-4-one, 2-methyl-3-phenyl-, oxime
CAS Number:
89296-03-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
InChI:
InChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)16(17-18)13-9-5-6-10-14(13)19-11/h2-10,18H,1H3
InChI Key:
GNCVWQULNSKRCK-UHFFFAOYSA-N
SMILES:
ON=c1c(c2ccccc2)c(C)oc2c1cccc2
Properties
Complexity:
394
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:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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