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115663-23-5 | 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-6-methyl-, oxime
CAS No: 115663-23-5 Catalog No: AG000GOY MDL No:
Product Description
Catalog Number:
AG000GOY
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-6-methyl-, oxime
CAS Number:
115663-23-5
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
N-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]hydroxylamine
InChI:
InChI=1S/C17H15NO3/c1-11-3-8-16-14(9-11)15(18-19)10-17(21-16)12-4-6-13(20-2)7-5-12/h3-10,19H,1-2H3
InChI Key:
MOJQMJZJNHMCGY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(=NO)c2c(o1)ccc(c2)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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