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92614-40-9 | 2,3-Butanediol, 2-methyl-1-(octyloxy)-
CAS No: 92614-40-9 Catalog No: AG006G1W MDL No:
Product Description
Catalog Number:
AG006G1W
Chemical Name:
2,3-Butanediol, 2-methyl-1-(octyloxy)-
CAS Number:
92614-40-9
Molecular Formula:
C13H28O3
Molecular Weight:
232.3596
IUPAC Name:
2-methyl-1-octoxybutane-2,3-diol
InChI:
InChI=1S/C13H28O3/c1-4-5-6-7-8-9-10-16-11-13(3,15)12(2)14/h12,14-15H,4-11H2,1-3H3
InChI Key:
ZAUKEDYRPVPXCX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCC(C(O)C)(O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.204g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.364g/mol
Monoisotopic Mass:
232.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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