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5688-48-2 | 3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, methyl ester
CAS No: 5688-48-2 Catalog No: AG000Y09 MDL No:
Product Description
Catalog Number:
AG000Y09
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-, methyl ester
CAS Number:
5688-48-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
methyl 3,4-dimethylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-7-4-5-9(6-8(7)2)10(11)12-3/h9H,4-6H2,1-3H3
InChI Key:
MLXHWXTWIQUFRX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=C(C1)C)C
Properties
Complexity:
216
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:
1.4
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