3-methoxy-5-(methoxycarbonyl)benzoic acid

3-methoxy-5-(methoxycarbonyl)benzoic acid

CAS: 71590-08-4

Formula: C10H10O5

SMILES: COC(=O)C1=CC(=CC(OC)=C1)C(O)=O

IUPAC: 3-methoxy-5-(methoxycarbonyl)benzoic acid

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

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	4
Hydrogen Bond Donor Count	1
InChIKey	PMYOJVWSJTZGDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.8
Topological Polar Surface Area	72.83
Polarizability	19.69
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	71590-08-4		$36.57-$363.17$36.57$68.09$136.19$363.17