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1472-85-1 | Propanedioic acid, 2-octyl-, 1,3-diethyl ester
CAS No: 1472-85-1 Catalog No: AG001EP3 MDL No:
Product Description
Catalog Number:
AG001EP3
Chemical Name:
Propanedioic acid, 2-octyl-, 1,3-diethyl ester
CAS Number:
1472-85-1
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
IUPAC Name:
diethyl 2-octylpropanedioate
InChI:
InChI=1S/C15H28O4/c1-4-7-8-9-10-11-12-13(14(16)18-5-2)15(17)19-6-3/h13H,4-12H2,1-3H3
InChI Key:
YZYBVYGISZANLI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(=O)OCC)C(=O)OCC
NSC Number:
74080
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.385g/mol
Monoisotopic Mass:
272.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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