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1988-35-8 | Phenol, 4-(1-ethyl-1-methylpentyl)-
CAS No: 1988-35-8 Catalog No: AG002BQZ MDL No:
Product Description
Catalog Number:
AG002BQZ
Chemical Name:
Phenol, 4-(1-ethyl-1-methylpentyl)-
CAS Number:
1988-35-8
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
4-(3-methylheptan-3-yl)phenol
InChI:
InChI=1S/C14H22O/c1-4-6-11-14(3,5-2)12-7-9-13(15)10-8-12/h7-10,15H,4-6,11H2,1-3H3
InChI Key:
GWMAWVMVZQQJDK-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)O)(CC)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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