5-(3-methylphenoxymethyl)furan-2-carboxylic acid

5-(3-methylphenoxymethyl)furan-2-carboxylic acid

CAS: 438221-37-5

Formula: C13H12O4

SMILES: CC1=CC=CC(OCC2=CC=C(O2)C(O)=O)=C1

IUPAC: 5-[(3-methylphenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C13H12O4/c1-9-3-2-4-10(7-9)16-8-11-5-6-12(17-11)13(14)15/h2-7H,8H2,1H3,(H,14,15)

Composition: C (67.23%), H (5.21%), O (27.56%)

Molar Mass: 232.235

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.073558866
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZFZFCZOUTNTHHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.7
Topological Polar Surface Area	59.67
Polarizability	23.43
Ring Count	2
Rotatable Bond Count	4

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