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16326-97-9 | 1,3-Cyclopentanediol, (1R,3S)-rel-
CAS No: 16326-97-9 Catalog No: AG001TY7 MDL No:MFCD13619671
Product Description
Catalog Number:
AG001TY7
Chemical Name:
1,3-Cyclopentanediol, (1R,3S)-rel-
CAS Number:
16326-97-9
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
MDL Number:
MFCD13619671
IUPAC Name:
(1R,3S)-cyclopentane-1,3-diol
InChI:
InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5+
InChI Key:
NUUPJBRGQCEZSI-SYDPRGILSA-N
SMILES:
O[C@@H]1CC[C@@H](C1)O
Properties
Complexity:
55.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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