200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 823-18-7

823-18-7

823-18-7 | cis-1,3-Cyclohexanediol

CAS No: 823-18-7 Catalog No: AG0034M5 MDL No:

Product Description

Catalog Number:
AG0034M5
Chemical Name:
cis-1,3-Cyclohexanediol
CAS Number:
823-18-7
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
(1S,3R)-cyclohexane-1,3-diol
InChI:
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6+
InChI Key:
RLMGYIOTPQVQJR-OLQVQODUSA-N
SMILES:
O[C@@H]1CCC[C@@H](C1)O

Properties

Complexity:
64.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/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  

© 2019 Angene International Limited. All rights Reserved.