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85187-16-2 | Benzenemethanol, a-[3-(2,2,3-trimethylcyclopentyl)propyl]-
CAS No: 85187-16-2 Catalog No: AG004QNY MDL No:
Product Description
Catalog Number:
AG004QNY
Chemical Name:
Benzenemethanol, a-[3-(2,2,3-trimethylcyclopentyl)propyl]-
CAS Number:
85187-16-2
Molecular Formula:
C18H28O
Molecular Weight:
260.4143
IUPAC Name:
1-phenyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
InChI:
InChI=1S/C18H28O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19H,7,10-13H2,1-3H3
InChI Key:
RRRMRASQZQTKRU-UHFFFAOYSA-N
SMILES:
CC1CCC(C1(C)C)CCCC(c1ccccc1)O
EC Number:
286-103-3
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.214g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.421g/mol
Monoisotopic Mass:
260.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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