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5-ethoxyfuran-2-carboxylic acid

5-ethoxyfuran-2-carboxylic acid

CAS: 115102-47-1

Formula: C7H8O4

SMILES: CCOC1=CC=C(O1)C(O)=O

IUPAC: 5-ethoxyfuran-2-carboxylic acid

InChI: InChI=1S/C7H8O4/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)

Composition: C (53.85%), H (5.16%), O (40.99%)

Molar Mass: 156.137

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 156.042258738
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SALAWNGVJRQXAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.17
Topological Polar Surface Area 59.67
Polarizability 14.02
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 115102-47-1 $80.50-$1,973.40$80.50$124.20$302.45$1,973.40
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