Furofenac

CAT: 0024-sc-489520Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-489520Size:10 mg

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CAS Number

56983-13-2

Chemical Information

Furofenac

structure given in first source

CAS Number	56983-13-2
PubChem CID	42091
IUPAC Name	2-(2-ethyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

CCC1CC2=C(O1)C=CC(=C2)CC(=O)O

InChI

InChI=1S/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)

InChIKey

MYQXHLQMZLTSDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56983-13-2

CID: 42091

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes