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83766-83-0 | 2,5-Cyclohexadiene-1-carboxylic acid, 1,3-dimethyl-, methyl ester
CAS No: 83766-83-0 Catalog No: AG0055QQ MDL No:
Product Description
Catalog Number:
AG0055QQ
Chemical Name:
2,5-Cyclohexadiene-1-carboxylic acid, 1,3-dimethyl-, methyl ester
CAS Number:
83766-83-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
methyl 1,3-dimethylcyclohexa-2,5-diene-1-carboxylate
InChI:
InChI=1S/C10H14O2/c1-8-5-4-6-10(2,7-8)9(11)12-3/h4,6-7H,5H2,1-3H3
InChI Key:
YVWLGURSQWWKDH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)C=CCC(=C1)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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