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878555-12-5 | Methanone, [2-(1,3-benzodioxol-5-yl)phenyl](4-methoxyphenyl)-
CAS No: 878555-12-5 Catalog No: AG004GYI MDL No:
Product Description
Catalog Number:
AG004GYI
Chemical Name:
Methanone, [2-(1,3-benzodioxol-5-yl)phenyl](4-methoxyphenyl)-
CAS Number:
878555-12-5
Molecular Formula:
C21H16O4
Molecular Weight:
332.3493
IUPAC Name:
[2-(1,3-benzodioxol-5-yl)phenyl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C21H16O4/c1-23-16-9-6-14(7-10-16)21(22)18-5-3-2-4-17(18)15-8-11-19-20(12-15)25-13-24-19/h2-12H,13H2,1H3
InChI Key:
UQOJZGJTMHBAAG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccccc1c1ccc2c(c1)OCO2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.355g/mol
Monoisotopic Mass:
332.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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