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20520-67-6 | 1,2-Cyclopentanediol, 1-acetate, (1R,2R)-rel-
CAS No: 20520-67-6 Catalog No: AG0029XM MDL No:
Product Description
Catalog Number:
AG0029XM
Chemical Name:
1,2-Cyclopentanediol, 1-acetate, (1R,2R)-rel-
CAS Number:
20520-67-6
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
acetic acid;(1R,2R)-cyclopentane-1,2-diol
InChI:
InChI=1S/C5H10O2.C2H4O2/c6-4-2-1-3-5(4)7;1-2(3)4/h4-7H,1-3H2;1H3,(H,3,4)/t4-,5-;/m1./s1
InChI Key:
SQKOMIGFMFWCLY-TYSVMGFPSA-N
SMILES:
CC(=O)O[C@@H]1CCC[C@H]1O
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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