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29665-57-4 | Phenol, 3-dodecyl-
CAS No: 29665-57-4 Catalog No: AG002Z0E MDL No:
Product Description
Catalog Number:
AG002Z0E
Chemical Name:
Phenol, 3-dodecyl-
CAS Number:
29665-57-4
Molecular Formula:
C18H30O
Molecular Weight:
262.4302
IUPAC Name:
3-dodecylphenol
InChI:
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(19)16-17/h12,14-16,19H,2-11,13H2,1H3
InChI Key:
PPUYTKKLEAZCCW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cccc(c1)O
UNII:
N6AD11EE6G
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.23g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.437g/mol
Monoisotopic Mass:
262.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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