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26264-14-2 | Propanediol (8CI,9CI)
CAS No: 26264-14-2 Catalog No: AG002SIT MDL No:
Product Description
Catalog Number:
AG002SIT
Chemical Name:
Propanediol (8CI,9CI)
CAS Number:
26264-14-2
Molecular Formula:
C3H8O2
Molecular Weight:
76.0944
IUPAC Name:
propane-1,1-diol
InChI:
InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
InChI Key:
ULWHHBHJGPPBCO-UHFFFAOYSA-N
SMILES:
CCC(O)O
Properties
Complexity:
18.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.052g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
76.095g/mol
Monoisotopic Mass:
76.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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