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101489-30-9 | 1,2-Nonadecanediol, 13-methyl-
CAS No: 101489-30-9 Catalog No: AG0004LI MDL No:
Product Description
Catalog Number:
AG0004LI
Chemical Name:
1,2-Nonadecanediol, 13-methyl-
CAS Number:
101489-30-9
Molecular Formula:
C20H42O2
Molecular Weight:
314.5463
IUPAC Name:
13-methylnonadecane-1,2-diol
InChI:
InChI=1S/C20H42O2/c1-3-4-5-12-15-19(2)16-13-10-8-6-7-9-11-14-17-20(22)18-21/h19-22H,3-18H2,1-2H3
InChI Key:
RZTUZBQLMLKAGT-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(CO)O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.318g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.554g/mol
Monoisotopic Mass:
314.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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