3-formyl-4-methoxybenzoic acid

3-formyl-4-methoxybenzoic acid

CAS: 91420-99-4

Formula: C9H8O4

SMILES: COC1=CC=C(C=C1C=O)C(O)=O

IUPAC: 3-formyl-4-methoxybenzoic acid

InChI: InChI=1S/C9H8O4/c1-13-8-3-2-6(9(11)12)4-7(8)5-10/h2-5H,1H3,(H,11,12)

Composition: C (60.00%), H (4.48%), O (35.52%)

Molar Mass: 180.159

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.042258738
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LAQPQIRPQCMEHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.36
Topological Polar Surface Area	63.6
Polarizability	17.13
Ring Count	1
Rotatable Bond Count	3

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98.93%	<7 Days	91420-99-4		$90.70-$918.17$90.70$109.40$217.86$254.32$918.17

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