2-(3,4-diethoxybenzoyl)benzoic acid

2-(3,4-diethoxybenzoyl)benzoic acid

Formula: C18H18O5

SMILES: CCOC1=C(OCC)C=C(C=C1)C(=O)C1=CC=CC=C1C(O)=O

IUPAC: 2-(3,4-diethoxybenzoyl)benzoic acid

InChI: InChI=1S/C18H18O5/c1-3-22-15-10-9-12(11-16(15)23-4-2)17(19)13-7-5-6-8-14(13)18(20)21/h5-11H,3-4H2,1-2H3,(H,20,21)

Composition: C (68.78%), H (5.77%), O (25.45%)

Molar Mass: 314.337

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.11542368
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OBLVZWVKNCXJKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.31
Topological Polar Surface Area	72.83
Polarizability	33.03
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H18O5		Quote Only