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89645-34-1 | 3-Butenoic acid, 4-(1-cyclohexen-1-yl)-, ethyl ester, (Z)-
CAS No: 89645-34-1 Catalog No: AG003VW2 MDL No:
Product Description
Catalog Number:
AG003VW2
Chemical Name:
3-Butenoic acid, 4-(1-cyclohexen-1-yl)-, ethyl ester, (Z)-
CAS Number:
89645-34-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
ethyl 4-(cyclohexen-1-yl)but-3-enoate
InChI:
InChI=1S/C12H18O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h6-7,9H,2-5,8,10H2,1H3
InChI Key:
TXODMEZFQWFSAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C=C\C1=CCCCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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