4-Allylcatechol

CAT: 0127-BUP06605-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06605-03Size:25 mg

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CAS Number

1126-61-0

Synonyms

4-Allylpyrocatechol, Hydroxychavicol

Purity

=95%

Smiles

Oc1ccc(CC=C)cc1O

Chemical Information

Hydroxychavicol

4-allylpyrocatechol has been reported in Dracaena cambodiana, Alpinia officinarum, and other organisms with data available.

CAS Number	1126-61-0
PubChem CID	70775
IUPAC Name	4-prop-2-enylbenzene-1,2-diol
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	0.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

C=CCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2

InChIKey

FHEHIXJLCWUPCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1126-61-0

CID: 70775

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt

Catalog	Name
TN1274-01	4-Allylcatechol
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
FT77427	4,4,4-Trifluorovaline