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144751-00-8 | 1-Nonacosanol, 3-methyl-
CAS No: 144751-00-8 Catalog No: AG001K3G MDL No:
Product Description
Catalog Number:
AG001K3G
Chemical Name:
1-Nonacosanol, 3-methyl-
CAS Number:
144751-00-8
Molecular Formula:
C30H62O
Molecular Weight:
438.8127
IUPAC Name:
3-methylnonacosan-1-ol
InChI:
InChI=1S/C30H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(2)28-29-31/h30-31H,3-29H2,1-2H3
InChI Key:
KRYFHCLJLPIRLE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(CCO)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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