200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1312790-52-5
1312790-52-5 | Bicyclo[1.1.1]?pentane-?1,?3-?diol
CAS No: 1312790-52-5 Catalog No: AG00IKU9 MDL No:
Product Description
Catalog Number:
AG00IKU9
Chemical Name:
Bicyclo[1.1.1]?pentane-?1,?3-?diol
CAS Number:
1312790-52-5
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
bicyclo[1.1.1]pentane-1,3-diol
InChI:
InChI=1S/C5H8O2/c6-4-1-5(7,2-4)3-4/h6-7H,1-3H2
InChI Key:
DOJPRLIAPQYYOX-UHFFFAOYSA-N
SMILES:
OC12CC(C1)(C2)O
Properties
Complexity:
79.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.