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918403-83-5 | 1,2-Cyclopentanediol, 3,3-dimethoxy-1-methyl-, (1S,2R)-
CAS No: 918403-83-5 Catalog No: AG006G11 MDL No:
Product Description
Catalog Number:
AG006G11
Chemical Name:
1,2-Cyclopentanediol, 3,3-dimethoxy-1-methyl-, (1S,2R)-
CAS Number:
918403-83-5
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
(1S,2R)-3,3-dimethoxy-1-methylcyclopentane-1,2-diol
InChI:
InChI=1S/C8H16O4/c1-7(10)4-5-8(11-2,12-3)6(7)9/h6,9-10H,4-5H2,1-3H3/t6-,7+/m1/s1
InChI Key:
JNPAQBQBKHQWMF-RQJHMYQMSA-N
SMILES:
COC1(OC)CC[C@]([C@H]1O)(C)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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