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89307-12-0 | 2-Propen-1-one, 1,3-bis[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS No: 89307-12-0 Catalog No: AG003YMS MDL No:
Product Description
Catalog Number:
AG003YMS
Chemical Name:
2-Propen-1-one, 1,3-bis[3-methoxy-4-(phenylmethoxy)phenyl]-
CAS Number:
89307-12-0
Molecular Formula:
C31H28O5
Molecular Weight:
480.5510
IUPAC Name:
1,3-bis(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C31H28O5/c1-33-30-19-23(14-17-28(30)35-21-24-9-5-3-6-10-24)13-16-27(32)26-15-18-29(31(20-26)34-2)36-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3
InChI Key:
SUWHHMMCMVOGIT-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)c2ccc(c(c2)OC)OCc2ccccc2)ccc1OCc1ccccc1
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.194g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.56g/mol
Monoisotopic Mass:
480.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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