2-Benzoylfuran

CAT: 0926-CAA68959-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA68959-01Size:50 mg

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CAS Number

2689-59-0

MDL Number

MFCD00092371

Smiles

C1=CC=C (C=C1) C (=O) C2=CC=CO2

Molecular Formula

C11H8O2

Molecular Weight

172.18 g/mol

Controlled

Chemical Information

Methanone, 2-furanylphenyl-

CAS Number	2689-59-0
PubChem CID	137679
IUPAC Name	furan-2-yl(phenyl)methanone
Molecular Formula	C11H8O2
Molecular Weight	172.18
XLogP	2.2
Topological Polar Surface Area	30.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	183

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CO2

InChI

InChI=1S/C11H8O2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H

InChIKey

CRLNTRZMHKNJSR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2689-59-0

CID: 137679

Formula: C11H8O2

MW: 172.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.18
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	172.052429494
Monoisotopic Mass	172.052429494
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FB03355-01	Benzofuran-2-carboxaldehyde
FB142816-01	2- (Benzofuran-2-yl) acetic acid
DAA77176-01	2- (Oxiran-2-yl) -1-benzofuran
SAA55742-01	2- (1-Benzofuran-2-carbonyl) pyridine
QHA43018-01	1-Benzofuran-2-carbothioamide
LBA75460-01	2- (Chloromethyl) -1-benzofuran
PBA16503-01	2-Ethynyl-1-benzofuran
SBA97419	1-Benzofuran-2-carbohydrazide
TMB03451-01	5- (2-chloroethyl) benzofuran
AAA09528-01	(Benzofuran-2-yl) acetonitrile

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