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69016-12-2 | 1-Cyclohexene-1-aceticacid, a-cyano-a-methyl-, methyl ester
CAS No: 69016-12-2 Catalog No: AG005Z6I MDL No:
Product Description
Catalog Number:
AG005Z6I
Chemical Name:
1-Cyclohexene-1-aceticacid, a-cyano-a-methyl-, methyl ester
CAS Number:
69016-12-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
methyl 2-cyano-2-(cyclohexen-1-yl)propanoate
InChI:
InChI=1S/C11H15NO2/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9/h6H,3-5,7H2,1-2H3
InChI Key:
AMOPLTIGAMSRMW-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1=CCCCC1)(C#N)C
EC Number:
273-787-3
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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