200,000+ products from a single source!
sales@angenechem.com
13858-62-3 | 1,2-Cyclohexanediol, 1-acetate, (1R,2S)-rel-
CAS No: 13858-62-3 Catalog No: AG0018SE MDL No:
Product Description
Catalog Number:
AG0018SE
Chemical Name:
1,2-Cyclohexanediol, 1-acetate, (1R,2S)-rel-
CAS Number:
13858-62-3
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
acetic acid;(1R,2S)-cyclohexane-1,2-diol
InChI:
InChI=1S/C6H12O2.C2H4O2/c7-5-3-1-2-4-6(5)8;1-2(3)4/h5-8H,1-4H2;1H3,(H,3,4)/t5-,6+;
InChI Key:
JACZZXXVLCNVCX-KNCHESJLSA-N
SMILES:
CC(=O)O[C@@H]1CCCC[C@@H]1O
Properties
Complexity:
93.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
3
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.