200,000+ products from a single source!
sales@angenechem.com
146530-01-0 | 1,3-Cyclohexanediol, 1-acetate, (1R,3R)-rel-
CAS No: 146530-01-0 Catalog No: AG001E3F MDL No:
Product Description
Catalog Number:
AG001E3F
Chemical Name:
1,3-Cyclohexanediol, 1-acetate, (1R,3R)-rel-
CAS Number:
146530-01-0
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
acetic acid;cyclohexane-1,3-diol
InChI:
InChI=1S/C6H12O2.C2H4O2/c7-5-2-1-3-6(8)4-5;1-2(3)4/h5-8H,1-4H2;1H3,(H,3,4)
InChI Key:
QQYIDQLRMHKPME-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCC[C@H](C1)OC(=O)C
Properties
Complexity:
95.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.