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15805-77-3 | Butanedioic acid, 1,4-dinonyl ester
CAS No: 15805-77-3 Catalog No: AG001PYA MDL No:
Product Description
Catalog Number:
AG001PYA
Chemical Name:
Butanedioic acid, 1,4-dinonyl ester
CAS Number:
15805-77-3
Molecular Formula:
C22H42O4
Molecular Weight:
370.5665
IUPAC Name:
dinonyl butanedioate
InChI:
InChI=1S/C22H42O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key:
RRAUQZBVEOPVRK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.308g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.574g/mol
Monoisotopic Mass:
370.308g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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