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26620-22-4 | 1,2-Cyclopentanediol, 1,2-diacetate, (1R,2R)-rel-
CAS No: 26620-22-4 Catalog No: AG002TUX MDL No:
Product Description
Catalog Number:
AG002TUX
Chemical Name:
1,2-Cyclopentanediol, 1,2-diacetate, (1R,2R)-rel-
CAS Number:
26620-22-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
[(1R,2R)-2-acetyloxycyclopentyl] acetate
InChI:
InChI=1S/C9H14O4/c1-6(10)12-8-4-3-5-9(8)13-7(2)11/h8-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChI Key:
BXAYTJKZGSJCRS-RKDXNWHRSA-N
SMILES:
CC(=O)O[C@@H]1CCC[C@H]1OC(=O)C
NSC Number:
45679
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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