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115-76-4 | 1,3-Propanediol, 2,2-diethyl-
CAS No: 115-76-4 Catalog No: AG000FKJ MDL No:MFCD00004695
Product Description
Catalog Number:
AG000FKJ
Chemical Name:
1,3-Propanediol, 2,2-diethyl-
CAS Number:
115-76-4
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
MDL Number:
MFCD00004695
IUPAC Name:
2,2-diethylpropane-1,3-diol
InChI:
InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3
InChI Key:
XRVCFZPJAHWYTB-UHFFFAOYSA-N
SMILES:
CCC(CO)(CO)CC
EC Number:
204-103-3
UNII:
A40PF8120T
Properties
Complexity:
61.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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