Home Carboxys 2-Cyclohexene-1-carboxylic acid, methyl ester

2-Cyclohexene-1-carboxylic acid, methyl ester

CAS No.:
25662-37-7
Catalog Number:
AG007MD8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG007MD8
Chemical Name:
2-Cyclohexene-1-carboxylic acid, methyl ester
CAS Number:
25662-37-7
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00037156
IUPAC Name:
methyl cyclohex-2-ene-1-carboxylate
InChI:
InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChI Key:
LKVHTVRTQUBZDN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC=C1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties