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100664-30-0 | 6-Heptene-2,3-diol, 2,6-dimethyl-, (S)- (9CI)
CAS No: 100664-30-0 Catalog No: AG0002LH MDL No:
Product Description
Catalog Number:
AG0002LH
Chemical Name:
6-Heptene-2,3-diol, 2,6-dimethyl-, (S)- (9CI)
CAS Number:
100664-30-0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
2,6-dimethylhept-6-ene-2,3-diol
InChI:
InChI=1S/C9H18O2/c1-7(2)5-6-8(10)9(3,4)11/h8,10-11H,1,5-6H2,2-4H3
InChI Key:
OSTJSCLDWFZDSA-UHFFFAOYSA-N
SMILES:
CC(=C)CC[C@@H](C(O)(C)C)O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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