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88346-31-0 | Cyclopentanemethanol, 1-(3,4-dimethoxyphenyl)-
CAS No: 88346-31-0 Catalog No: AG0046FH MDL No:
Product Description
Catalog Number:
AG0046FH
Chemical Name:
Cyclopentanemethanol, 1-(3,4-dimethoxyphenyl)-
CAS Number:
88346-31-0
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
InChI:
InChI=1S/C14H20O3/c1-16-12-6-5-11(9-13(12)17-2)14(10-15)7-3-4-8-14/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChI Key:
NTVYWJWIOCGJFA-UHFFFAOYSA-N
SMILES:
OCC1(CCCC1)c1ccc(c(c1)OC)OC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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