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100897-20-9 | Methanone, bis[2-(4-methoxyphenyl)cyclopropyl]-
CAS No: 100897-20-9 Catalog No: AG00033T MDL No:
Product Description
Catalog Number:
AG00033T
Chemical Name:
Methanone, bis[2-(4-methoxyphenyl)cyclopropyl]-
CAS Number:
100897-20-9
Molecular Formula:
C21H22O3
Molecular Weight:
322.3976
IUPAC Name:
bis[2-(4-methoxyphenyl)cyclopropyl]methanone
InChI:
InChI=1S/C21H22O3/c1-23-15-7-3-13(4-8-15)17-11-19(17)21(22)20-12-18(20)14-5-9-16(24-2)10-6-14/h3-10,17-20H,11-12H2,1-2H3
InChI Key:
RDBIPUWDZNBPRY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC1C(=O)C1CC1c1ccc(cc1)OC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.404g/mol
Monoisotopic Mass:
322.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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