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88952-73-2 | 4H-1-Benzopyran-4-one, 6-methyl-2-(2-methylphenyl)-
CAS No: 88952-73-2 Catalog No: AG004780 MDL No:
Product Description
Catalog Number:
AG004780
Chemical Name:
4H-1-Benzopyran-4-one, 6-methyl-2-(2-methylphenyl)-
CAS Number:
88952-73-2
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
6-methyl-2-(2-methylphenyl)chromen-4-one
InChI:
InChI=1S/C17H14O2/c1-11-7-8-16-14(9-11)15(18)10-17(19-16)13-6-4-3-5-12(13)2/h3-10H,1-2H3
InChI Key:
QOUNADNCAOICIY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)cc(o2)c1ccccc1C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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