2-Butene-1,4-diol

CAT: 0127-OR1005186-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1005186-01Size:25 g

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CAS Number

110-64-5

Purity

97%

Smiles

OC/C=C/CO

Chemical Information

2-Butene-1,4-diol

CAS Number	110-64-5
PubChem CID	8065
IUPAC Name	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=CCO)O

InChI

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

InChIKey

ORTVZLZNOYNASJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-64-5

CID: 8065

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	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1010942-01	3-Butene-1,2-Diol
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OR919444-01	1,4-Dicyano-2-butene
OR1059967-01	4- (Methylthio) butane-1,2-diol
OR1064911-01	4- (4-Methoxyphenyl) -2-methyl-1-butene
OR1044059-01	Cis-1,4-dichloro-2-butene
OR1078571-01	1,4-Bis (butyryloxy) -2-butene
OR1044046-01	4-Chloro-1-butene
OR51831	4-Phenyl-1-butene
PC1008409-01	2-Chloro-1,1,4,4,4-pentafluoro-1-butene