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91000-35-0 | Phenol, 4-(2,4-dimethylheptyl)-
CAS No: 91000-35-0 Catalog No: AG006FRI MDL No:
Product Description
Catalog Number:
AG006FRI
Chemical Name:
Phenol, 4-(2,4-dimethylheptyl)-
CAS Number:
91000-35-0
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
4-(2,4-dimethylheptyl)phenol
InChI:
InChI=1S/C15H24O/c1-4-5-12(2)10-13(3)11-14-6-8-15(16)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChI Key:
ZQFIDKYVIZILME-UHFFFAOYSA-N
SMILES:
CCCC(CC(Cc1ccc(cc1)O)C)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:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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