Home Carboxys 2-Methylcyclohexa-2,5-dienecarboxylic acid

2-Methylcyclohexa-2,5-dienecarboxylic acid

CAS No.:
55886-48-1
Catalog Number:
AG003DOF
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
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Product Description
Catalog Number:
AG003DOF
Chemical Name:
2-Methylcyclohexa-2,5-dienecarboxylic acid
CAS Number:
55886-48-1
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD00010806
IUPAC Name:
2-methylcyclohexa-2,5-diene-1-carboxylic acid
InChI:
InChI=1S/C8H10O2/c1-6-4-2-3-5-7(6)8(9)10/h3-5,7H,2H2,1H3,(H,9,10)
InChI Key:
GYUSHSKDGRZQOB-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=CCC=C1C
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Probing lipid peroxidation by using linoleic acid and benzophenone. Chemistry (Weinheim an der Bergstrasse, Germany) 20110829
Oxidative effects induced by dediazoniation of the p-hydroxybenzenediazonium ion in a neutral aqueous medium. Journal of chromatography. A 20040507
Properties