2(3H)-Benzofuranone

CAT: 0572-TRC-B203635-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-B203635-10GSize:10 g

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CAS Number

553-86-6

Synonyms

2,3-Dihydrobenzofuran-2-one; 2-Benzofuranone; 2-Coumaranone; 2-Coumarone; 3H-Benzofuran-2-one; Benzo[b]furan-2(3H)-one; Cumaranone; Isophthalide; NSC 227414; o-Hydroxyphenylacetic acid γ-lactone; α-Coumaranone

Hazard Statement

No Data Available

Smiles

O=C1Cc2ccccc2O1

Molecular Formula

C8H6O2

Molecular Weight

134.13

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

2(3H)-Benzofuranone

structure in first source

CAS Number	553-86-6
PubChem CID	68382
IUPAC Name	3H-1-benzofuran-2-one
Molecular Formula	C8H6O2
Molecular Weight	134.13
XLogP	1.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	153

SMILES

C1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

InChIKey

ACZGCWSMSTYWDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 553-86-6

CID: 68382

Formula: C8H6O2

MW: 134.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	134.036779430
Monoisotopic Mass	134.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	153
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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TRC-D444888-5MG	2-[(3,4-Dihydroxyphenyl)methyl]-6,7-dihydroxy-3(2H)-benzofuranone
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Alternative Products

Catalog	Name
160094	2 (3H) -Benzofuranone
sc-226978	5-Hydroxy-2 (3H) -benzofuranone
OR1043457-01	6-methoxy-2 (3H) -Benzofuranone
sc-484450	3- (Methoxymethylene) -2 (3H) -benzofuranone
423265-01	3- (Methoxymethylene) -2 (3H) -benzofuranone discontinued
439463-01	7-Bromo-3-benzofuranone
abx180656-01	6-Chloro-3-benzofuranone
sc-233688	7-Methoxy-3 (2H) -benzofuranone
OR76642-01	6-Methoxy-3 (2H) -benzofuranone
265848-01	6-bromo-3 (2H) -benzofuranone

2(3H)-Benzofuranone

Chemical Information

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