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13230-67-6 | 2-Triacontanol
CAS No: 13230-67-6 Catalog No: AG0010IV MDL No:
Product Description
Catalog Number:
AG0010IV
Chemical Name:
2-Triacontanol
CAS Number:
13230-67-6
Molecular Formula:
C30H62O
Molecular Weight:
438.8127
IUPAC Name:
triacontan-2-ol
InChI:
InChI=1S/C30H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2)31/h30-31H,3-29H2,1-2H3
InChI Key:
XAAKDEWWCWOBJC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.48g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.825g/mol
Monoisotopic Mass:
438.48g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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