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142009-38-9 | 2H-1-Benzopyran-2-one, 4-[2-(4-hydroxyphenyl)ethenyl]-7-methyl-
CAS No: 142009-38-9 Catalog No: AG001HJV MDL No:
Product Description
Catalog Number:
AG001HJV
Chemical Name:
2H-1-Benzopyran-2-one, 4-[2-(4-hydroxyphenyl)ethenyl]-7-methyl-
CAS Number:
142009-38-9
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
4-[2-(4-hydroxyphenyl)ethenyl]-7-methylchromen-2-one
InChI:
InChI=1S/C18H14O3/c1-12-2-9-16-14(11-18(20)21-17(16)10-12)6-3-13-4-7-15(19)8-5-13/h2-11,19H,1H3
InChI Key:
IUJXXAXKDWXFTO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Cc1cc(=O)oc2c1ccc(c2)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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