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115757-27-2 | 1-Propanol, 3,3-dimethoxy-2-methyl-, (2S)-
CAS No: 115757-27-2 Catalog No: AG000GTV MDL No:
Product Description
Catalog Number:
AG000GTV
Chemical Name:
1-Propanol, 3,3-dimethoxy-2-methyl-, (2S)-
CAS Number:
115757-27-2
Molecular Formula:
C6H14O3
Molecular Weight:
134.1736
IUPAC Name:
(2S)-3,3-dimethoxy-2-methylpropan-1-ol
InChI:
InChI=1S/C6H14O3/c1-5(4-7)6(8-2)9-3/h5-7H,4H2,1-3H3/t5-/m0/s1
InChI Key:
GLAXQTDHALEKLY-YFKPBYRVSA-N
SMILES:
COC([C@H](CO)C)OC
Properties
Complexity:
61.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
134.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.175g/mol
Monoisotopic Mass:
134.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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