3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoic acid

3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoic acid

CAS: 67310-57-0

Formula: C8H8O4

SMILES: OCC1=CC=C(O1)C=CC(O)=O

IUPAC: 3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoic acid

InChI: InChI=1S/C8H8O4/c9-5-7-2-1-6(12-7)3-4-8(10)11/h1-4,9H,5H2,(H,10,11)

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 168.148

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.042258738
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FAWJSEHMOMAQHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.14
Topological Polar Surface Area	70.67
Polarizability	15.54
Ring Count	1
Rotatable Bond Count	3

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