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198220-45-0 | Phenol, 2,4-dimethyl-6-(6-methylheptyl)-
CAS No: 198220-45-0 Catalog No: AG002BDI MDL No:
Product Description
Catalog Number:
AG002BDI
Chemical Name:
Phenol, 2,4-dimethyl-6-(6-methylheptyl)-
CAS Number:
198220-45-0
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2,4-dimethyl-6-(6-methylheptyl)phenol
InChI:
InChI=1S/C16H26O/c1-12(2)8-6-5-7-9-15-11-13(3)10-14(4)16(15)17/h10-12,17H,5-9H2,1-4H3
InChI Key:
JTOOCBHWULMDHW-UHFFFAOYSA-N
SMILES:
CC(CCCCCc1cc(C)cc(c1O)C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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