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101083-42-5 | Propanedioic acid, 2-butyl-, 1,3-dibutyl ester
CAS No: 101083-42-5 Catalog No: AG0003PL MDL No:
Product Description
Catalog Number:
AG0003PL
Chemical Name:
Propanedioic acid, 2-butyl-, 1,3-dibutyl ester
CAS Number:
101083-42-5
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
IUPAC Name:
dibutyl 2-butylpropanedioate
InChI:
InChI=1S/C15H28O4/c1-4-7-10-13(14(16)18-11-8-5-2)15(17)19-12-9-6-3/h13H,4-12H2,1-3H3
InChI Key:
YNRBOJHRLRNFKI-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCCCC)C(=O)OCCCC
Properties
Complexity:
229
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:
4.7
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