2-({3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

2-({3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

Formula: C20H18O10

SMILES: OC(=O)CC1=C(C=CC(=O)OC(CC2=CC(O)=C(O)C=C2)C(O)=O)C=CC(O)=C1O

IUPAC: 2-({3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

InChI: InChI=1/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29)

Composition: C (57.42%), H (4.34%), O (38.24%)

Molar Mass: 418.354

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	418.08999678
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	6
InChIKey	KFCMFABBVSIHTB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	102.26
Topological Polar Surface Area	181.82
Polarizability	38.84
Ring Count	2
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H18O10		Quote Only