Cis-Cyclobutane-1,3-diol

CAT: 0127-OR1070123-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070123-01Size:100 mg

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CAS Number

1332482-73-1

MDL Number

MFCD28506109

Purity

97%

Smiles

O[C@H]1C[C@@H](O)C1

Chemical Information

Cyclobutane-1,3-diol

CAS Number	1332482-73-1
PubChem CID	3022709
IUPAC Name	cyclobutane-1,3-diol
Molecular Formula	C4H8O2
Molecular Weight	88.11
XLogP	-0.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	37

SMILES

C1C(CC1O)O

InChI

InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2

InChIKey

STENYDAIMALDKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1332482-73-1

CID: 3022709

Formula: C4H8O2

MW: 88.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.11
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	88.052429494
Monoisotopic Mass	88.052429494
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	37.5
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
OR304355	Cyclobutane-1,3-diol
OR1074085-01	Trans-Cyclobutane-1,3-diol
OR1074191-01	Cis-Cyclooctane-1,5-diol
OR1037012	Cis-cyclooctane-1,2-diol
OR12575	Cis-Indan-1,3-diol
OR1003971-01	Cis-Cyclobutane-1,2-dicarbonitrile
OR322236-01	Cis-4-Cyclopentene-1,3-diol
PC1026964	Cis-3-Hydroxy-3- (trifluoromethyl) cyclobutane-1-carboxylic acid
OR1061814	Cis-Dimethyl cyclobutane-1,2-dicarboxylate
OR938740-01	Cis-cyclobutane-1,2-dicarboxylic acid

Catalog	Name
NCA51847-01	Cyclobutane-1,3-diol
HDC48275-01	Trans-cyclobutane-1,3-diol
CAA39816-01	Cis-cyclobutane-1,3-dicarboxylic acid
FC66623-01	Cis-Cyclobutane-1,2-dicarbonitrile
YEA81282-01	Cis-3- (trifluoromethyl) cyclobutane-1-carboxylic acid
CAA39817-01	Cis-methyl-3- (hydroxymethyl) cyclobutane-1-carboxylate
FC30625-01	Cis-4-Cyclopentene-1,3-diol
sc-227670	Cis-Cyclobutane-1,2-dicarboxylic acid
GPD66422-01	Methyl cis-3- (aminomethyl) cyclobutane-1-carboxylate hydrochloride
AQ C4 0002-01	Cis- (1R,2S) -cyclobutane-1,2-dicarbohydrazide