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15677-90-4 | Dodecanedioic acid, 1,12-dibutyl ester
CAS No: 15677-90-4 Catalog No: AG001OZF MDL No:
Product Description
Catalog Number:
AG001OZF
Chemical Name:
Dodecanedioic acid, 1,12-dibutyl ester
CAS Number:
15677-90-4
Molecular Formula:
C20H38O4
Molecular Weight:
342.5133
IUPAC Name:
dibutyl dodecanedioate
InChI:
InChI=1S/C20H38O4/c1-3-5-17-23-19(21)15-13-11-9-7-8-10-12-14-16-20(22)24-18-6-4-2/h3-18H2,1-2H3
InChI Key:
PYWJUJAIGZXCMW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC
EC Number:
239-754-2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.52g/mol
Monoisotopic Mass:
342.277g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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