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178445-83-5 | 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-
CAS No: 178445-83-5 Catalog No: AG00262E MDL No:MFCD06245367
Product Description
Catalog Number:
AG00262E
Chemical Name:
1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-
CAS Number:
178445-83-5
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD06245367
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one
InChI:
InChI=1S/C17H18O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-5,7,9-11,18H,6,8H2,1-2H3
InChI Key:
FHRRNHCFBUDADJ-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)c2cccc(c2)O)ccc1OC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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