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89590-30-7 | 2-Butenedioic acid, 2-cyclohexyl-, diethyl ester, (Z)-
CAS No: 89590-30-7 Catalog No: AG003XK1 MDL No:
Product Description
Catalog Number:
AG003XK1
Chemical Name:
2-Butenedioic acid, 2-cyclohexyl-, diethyl ester, (Z)-
CAS Number:
89590-30-7
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
diethyl 2-cyclohexylbut-2-enedioate
InChI:
InChI=1S/C14H22O4/c1-3-17-13(15)10-12(14(16)18-4-2)11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3
InChI Key:
WZRHHXXSMZRMDV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\C(=O)OCC)/C1CCCCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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