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2783-77-9 | 4-Cyclohexene-1,2-dicarboxylic acid, 3-(7-carboxyheptyl)-6-hexyl-
CAS No: 2783-77-9 Catalog No: AG002UVJ MDL No:
Product Description
Catalog Number:
AG002UVJ
Chemical Name:
4-Cyclohexene-1,2-dicarboxylic acid, 3-(7-carboxyheptyl)-6-hexyl-
CAS Number:
2783-77-9
Molecular Formula:
C22H36O6
Molecular Weight:
396.5176
IUPAC Name:
3-(7-carboxyheptyl)-6-hexylcyclohex-4-ene-1,2-dicarboxylic acid
InChI:
InChI=1S/C22H36O6/c1-2-3-4-8-11-16-14-15-17(20(22(27)28)19(16)21(25)26)12-9-6-5-7-10-13-18(23)24/h14-17,19-20H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)
InChI Key:
STBMNTRSWHJILF-UHFFFAOYSA-N
SMILES:
CCCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCC(=O)O
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.251g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.524g/mol
Monoisotopic Mass:
396.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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