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10108-80-2 | 1,2-Propanediol, 1,2-dipropanoate
CAS No: 10108-80-2 Catalog No: AG0003OX MDL No:
Product Description
Catalog Number:
AG0003OX
Chemical Name:
1,2-Propanediol, 1,2-dipropanoate
CAS Number:
10108-80-2
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
2-propanoyloxypropyl propanoate
InChI:
InChI=1S/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3
InChI Key:
KFNABOVSAPCOCY-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(OC(=O)CC)C
EC Number:
233-298-8
FEMA Number:
4465
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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