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5-(4-methylphenyl)furan-2-carboxylic acid

5-(4-methylphenyl)furan-2-carboxylic acid

CAS: 52938-98-4

Formula: C12H10O3

SMILES: CC1=CC=C(C=C1)C1=CC=C(O1)C(O)=O

IUPAC: 5-(4-methylphenyl)furan-2-carboxylic acid

InChI: InChI=1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)

Composition: C (71.28%), H (4.98%), O (23.74%)

Molar Mass: 202.209

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 202.062994182
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YZDIEQFFXQUBRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.76
Topological Polar Surface Area 50.44
Polarizability 22.24
Ring Count 2
Rotatable Bond Count 2

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