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13037-82-6 | Phenol, 2,6-dimethyl-4-propyl-
CAS No: 13037-82-6 Catalog No: AG000UBQ MDL No:
Product Description
Catalog Number:
AG000UBQ
Chemical Name:
Phenol, 2,6-dimethyl-4-propyl-
CAS Number:
13037-82-6
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2,6-dimethyl-4-propylphenol
InChI:
InChI=1S/C11H16O/c1-4-5-10-6-8(2)11(12)9(3)7-10/h6-7,12H,4-5H2,1-3H3
InChI Key:
HJZJMARGPNJHHG-UHFFFAOYSA-N
SMILES:
CCCc1cc(C)c(c(c1)C)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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