4-methylcyclohexa-1,4-diene-1-carboxylic acid

4-methylcyclohexa-1,4-diene-1-carboxylic acid

CAS: 53312-53-1

Formula: C8H10O2

SMILES: CC1=CCC(=CC1)C(O)=O

IUPAC: 4-methylcyclohexa-1,4-diene-1-carboxylic acid

InChI: InChI=1S/C8H10O2/c1-6-2-4-7(5-3-6)8(9)10/h2,5H,3-4H2,1H3,(H,9,10)

Composition: C (69.55%), H (7.30%), O (23.16%)

Molar Mass: 138.166

Atom Count: 20

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	138.068079562
Formal Charge	0
FSP3	0.37
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XLCSLJJQJLQYLO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.12
Topological Polar Surface Area	37.3
Polarizability	14.77
Ring Count	1
Rotatable Bond Count	1

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