2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

CAS: 614-13-1

Formula: C8H8O3

SMILES: COC1=CC(=O)C(C)=CC1=O

IUPAC: 2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione

InChI: InChI=1S/C8H8O3/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3

Composition: C (63.15%), H (5.30%), O (31.55%)

Molar Mass: 152.149

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	152.047344118
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VJVOAGLABGZRSL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.1
Topological Polar Surface Area	43.37
Polarizability	15.12
Ring Count	1
Rotatable Bond Count	1

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