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122771-83-9 | 1H-2-Benzopyran-1-one, 3-(2-methoxyphenyl)-
CAS No: 122771-83-9 Catalog No: AG000JGC MDL No:
Product Description
Catalog Number:
AG000JGC
Chemical Name:
1H-2-Benzopyran-1-one, 3-(2-methoxyphenyl)-
CAS Number:
122771-83-9
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
3-(2-methoxyphenyl)isochromen-1-one
InChI:
InChI=1S/C16H12O3/c1-18-14-9-5-4-8-13(14)15-10-11-6-2-3-7-12(11)16(17)19-15/h2-10H,1H3
InChI Key:
ZSNMYORBKRFGQI-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cc2ccccc2c(=O)o1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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