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100297-82-3 | 2H-1-Benzopyran-2-one, 3-[4-(phenylmethoxy)phenyl]-
CAS No: 100297-82-3 Catalog No: AG0001HD MDL No:
Product Description
Catalog Number:
AG0001HD
Chemical Name:
2H-1-Benzopyran-2-one, 3-[4-(phenylmethoxy)phenyl]-
CAS Number:
100297-82-3
Molecular Formula:
C22H16O3
Molecular Weight:
328.3606
IUPAC Name:
3-(4-phenylmethoxyphenyl)chromen-2-one
InChI:
InChI=1S/C22H16O3/c23-22-20(14-18-8-4-5-9-21(18)25-22)17-10-12-19(13-11-17)24-15-16-6-2-1-3-7-16/h1-14H,15H2
InChI Key:
QVIUESPMGSKETC-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.367g/mol
Monoisotopic Mass:
328.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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