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140923-55-3 | 1,2-Heptanediol, 2-methyl-, (2S)-
CAS No: 140923-55-3 Catalog No: AG001FMZ MDL No:
Product Description
Catalog Number:
AG001FMZ
Chemical Name:
1,2-Heptanediol, 2-methyl-, (2S)-
CAS Number:
140923-55-3
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
IUPAC Name:
2-methylheptane-1,2-diol
InChI:
InChI=1S/C8H18O2/c1-3-4-5-6-8(2,10)7-9/h9-10H,3-7H2,1-2H3
InChI Key:
UBNIJVDFUWZODL-UHFFFAOYSA-N
SMILES:
CCCCC[C@@](CO)(O)C
Properties
Complexity:
83.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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