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116217-91-5 | Phenol, 4-(1-cyclopentylideneethyl)-3-methyl-
CAS No: 116217-91-5 Catalog No: AG000BYQ MDL No:
Product Description
Catalog Number:
AG000BYQ
Chemical Name:
Phenol, 4-(1-cyclopentylideneethyl)-3-methyl-
CAS Number:
116217-91-5
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
4-(1-cyclopentylideneethyl)-3-methylphenol
InChI:
InChI=1S/C14H18O/c1-10-9-13(15)7-8-14(10)11(2)12-5-3-4-6-12/h7-9,15H,3-6H2,1-2H3
InChI Key:
TURCKSCQBBKTLM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C)C(=C1CCCC1)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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