Home Carboxys methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate

methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate

CAS No.:
58911-05-0
Catalog Number:
AG00F1XK
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG00F1XK
Chemical Name:
methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate
CAS Number:
58911-05-0
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD18974779
IUPAC Name:
methyl 1,4-dimethylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-8-4-6-10(2,7-5-8)9(11)12-3/h4H,5-7H2,1-3H3
InChI Key:
PAXHLOIQWUFMQI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CCC(=CC1)C
EC Number:
261-494-3
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties