2-formyl-4,5-dimethoxybenzoic acid

2-formyl-4,5-dimethoxybenzoic acid

CAS: 490-63-1

Formula: C10H10O5

SMILES: COC1=CC(C=O)=C(C=C1OC)C(O)=O

IUPAC: 2-formyl-4,5-dimethoxybenzoic acid

InChI: InChI=1S/C10H10O5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3,(H,12,13)

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 210.185

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.052823422
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CXANNUKKXKKTKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.82
Topological Polar Surface Area	72.83
Polarizability	19.69
Ring Count	1
Rotatable Bond Count	4

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