3-Hydroxysenkyunolide A

CAT: 1299-RG-A262434-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262434-01Size:10 mg

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CAS Number

94530-85-5

Synonyms

3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1 (3H) -one

Molecular Formula

C12H16O3

Molecular Weight

208.26

Product Name Synonym

3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1 (3H) -one

Chemical Information

Npc189071

CAS Number	94530-85-5
PubChem CID	10013283
IUPAC Name	3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
Molecular Formula	C12H16O3
Molecular Weight	208.25
XLogP	1.9
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	341

SMILES

CCCCC1(C2=C(C=CCC2)C(=O)O1)O

InChI

InChI=1S/C12H16O3/c1-2-3-8-12(14)10-7-5-4-6-9(10)11(13)15-12/h4,6,14H,2-3,5,7-8H2,1H3

InChIKey

JGIFAEPLZJPSHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94530-85-5

CID: 10013283

Formula: C12H16O3

MW: 208.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.25
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	208.109944368
Monoisotopic Mass	208.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	341
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

Catalog	Name
RG-F122148-01	3- (3-Fluorophenyl) -3-Oxopropanenitrile
RG-D090525-01	3,3-Diethoxypropanenitrile
RG-A262872-01	3,3′-Biphthalide
RG-E140739-01	3,3'-Diaminodipropylamine
RG-E140863-01	3,3'-bipyridine
RG-E141213-01	3,3'-Diindolylmethane
RG-P022549-01	3,3'-Oxydiphenol
RG-E141560-01	3-amino-3,3-dicyanopropanoic acid
RG-P081503-01	3,3',3''-Phosphinetriyltripropanoic Acid Hydrochloride
RG-E141561-01	3,3-dicyano-2,3-dihydroxypropanoic acid

Catalog	Name
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PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA42834	3,3,3-Trifluoropropanethioamide
426796-01	3,3,3-Trifluoroalanine
sc-261128A	3,3,3-Trifluoropropionaldehyde
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide