2-Acetylfuran

CAT: 0024-sc-254253Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254253Size:25 g

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CAS Number

1192-62-7

Chemical Information

2-Acetylfuran

2-acetylfuran is a furan carrying an acetyl substituent at the 2-position. Used in the production of the antibiotic cefuroxime (CHEBI:3515). It is a member of furans, a methyl ketone and an aromatic ketone.

CAS Number	1192-62-7
PubChem CID	14505
IUPAC Name	1-(furan-2-yl)ethanone
Molecular Formula	C6H6O2
Molecular Weight	110.11
XLogP	0.5
Topological Polar Surface Area	30.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	98

SMILES

CC(=O)C1=CC=CO1

InChI

InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey

IEMMBWWQXVXBEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1192-62-7

CID: 14505

Formula: C6H6O2

MW: 110.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	110.036779430
Monoisotopic Mass	110.036779430
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.7
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

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Catalog	Name
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sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
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sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-506736	2'-Amino-2,2,2-trifluoroacetophenone
sc-322118A	2'-Methoxy-2,2,2-trifluoroacetophenone

Alternative Products

Catalog	Name
TRC-A176200-10G	2-Acetylfuran
HY-W015912S	2-Acetylfuran-d3
HY-W015912R-01	2-Acetylfuran (Standard)
IFA67471-01	5-Acetylfuran-2-carbonitrile
FM00813-01	5-Methyl-2-acetylfuran
OR16082-01	3-Acetylfuran
MBS9025305-01	5-Acetylfuran-2-boronic acid
401001	2‐ACETYLFURAN (2‐FURYL METHYL KETONE)
NAA34177-01	5-Acetylfuran-2-carboxylic acid
OR1080503	(5-Acetylfuran-2-yl) boronic acid

2-Acetylfuran

Chemical Information

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