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146671-42-3 | 1,10-Decanediol, 2-methyl-, (S)- (9CI)
CAS No: 146671-42-3 Catalog No: AG001E7L MDL No:
Product Description
Catalog Number:
AG001E7L
Chemical Name:
1,10-Decanediol, 2-methyl-, (S)- (9CI)
CAS Number:
146671-42-3
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
2-methyldecane-1,10-diol
InChI:
InChI=1S/C11H24O2/c1-11(10-13)8-6-4-2-3-5-7-9-12/h11-13H,2-10H2,1H3
InChI Key:
DFDXFFVIMFIZMQ-UHFFFAOYSA-N
SMILES:
OCCCCCCCC[C@@H](CO)C
Properties
Complexity:
94.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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