Cis-2-Butene-1,4-diol

CAT: 1596-AR-G01907-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G01907-01Size:10 Units

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CAS Number

6117-80-2

Molecular Formula

C4H8O2

Molecular Weight

88.11

API Name

Gadoteridol

Chemical Information

2-Butene-1,4-diol, (2Z)-

See also: Butene-1,4-diol (annotation moved to).

CAS Number	6117-80-2
PubChem CID	643790
IUPAC Name	(Z)-but-2-ene-1,4-diol
Molecular Formula	C4H8O2
Molecular Weight	88.11
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	6
Formal Charge	0
Complexity	34

SMILES

C(/C=C\CO)O

InChI

InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-

InChIKey

ORTVZLZNOYNASJ-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 6117-80-2

CID: 643790

Formula: C4H8O2

MW: 88.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.11
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	88.052429494
Monoisotopic Mass	88.052429494
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	34.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C08597-01	Cis-1,4-Dimethylcyclohexane-1,4-diol
AR-M05354-01	2,4-Diphenyl-1-butene
AR-T05701-01	(E) -1,4-diethoxy-2-Butene
AR-M02580-01	Trans 1,4-Dichloro-2-butene
AR-M05370-01	2-Bromo-1-butene
AR-B08156-01	1,4-Butane-2,2,3,3-d4-Diol
AR-T02782-01	Trans-4-Chloro-2-butene-1-ol
AR-B06348-01	4- (Hydrazinylmethyl) Benzene-1,2-Diol
AR-S01104-01	2,3-diphenylbutane-1,4-diol
AR-S01103-01	2,4-diphenylbutane-1,3-diol

Catalog	Name
HY-W027631-01	Cis-2-Butene-1,4-diol
163106	Cis-1-Butene-1,4-diol
B8940	2-Butene-1,4-Diol (cis+trans)
TRC-D619545-250MG	cis-2,3-Dimethyl-2-butene-1,4-diol
sc-237960	2-Butene-1,4-diol
B26440-01	2-Butene-1,4-diol mixture of cis & trans isomers 96%
sc-485337	Trans-2-Butene-1,4-diol
464274-01	Rac-2-Butene-1, 4-diol
B689805	rac-2-Butene-1,4-diol
OR1008839-01	(Z) 2-Butene-1,4-Diol