Methyl cis-3-hydroxycyclobutanecarboxylate

CAT: 0926-NCA48550Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-NCA48550Size:25 g

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CAS Number

63485-50-7

MDL Number

MFCD18483124

Smiles

COC (=O) C1CC (C1) O

Molecular Formula

C6H10O3

Molecular Weight

130.14 g/mol

Controlled

Chemical Information

Cyclobutanecarboxylic acid, 3-hydroxy-, methyl ester

CAS Number	63485-50-7
PubChem CID	12815112
IUPAC Name	methyl 3-hydroxycyclobutane-1-carboxylate
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	115

SMILES

COC(=O)C1CC(C1)O

InChI

InChI=1S/C6H10O3/c1-9-6(8)4-2-5(7)3-4/h4-5,7H,2-3H2,1H3

InChIKey

BYKHAEUVLSBWSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63485-50-7

CID: 12815112

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115
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
CXA84932	Benzyl cis-3-hydroxycyclobutanecarboxylate
NCA48551-01	Trans-methyl 3-hydroxycyclobutanecarboxylate
KGA35188-01	Ethyl trans-3-hydroxycyclobutanecarboxylate
XIA53029	Methyl cis-3-Aminocyclopentanecarboxylate hydrochloride
INA38086-01	Cis, cis, cis-1,2,3,4-Tetrakis[ (diphenylphosphino) methyl]cyclopentane
GAA18354-01	Methyl cis-3-hydroxycyclohexane-1-carboxylate
NDA64120-01	(±) -Cis-3-methyl butyryl fentanyl hydrochloride
CAA39817-01	Cis-methyl-3- (hydroxymethyl) cyclobutane-1-carboxylate
FM46441-01	Methyl cis-11-eicosenoate
CAA73388-01	Methyl cis-15-tetracosenoate

Catalog	Name
OR317100-01	Methyl cis-3-hydroxycyclobutanecarboxylate
OR949364-01	Cis-Methyl 2,2-dimethyl-3-hydroxycyclobutanecarboxylate
OR317062-01	Methyl 3-hydroxycyclobutanecarboxylate
sc-506694	Methyl trans-3-hydroxycyclobutanecarboxylate
PC1015868-01	Methyl 3- (3-fluorophenyl) -3-hydroxycyclobutanecarboxylate
OR1055827-01	Methyl 1-hydroxycyclobutanecarboxylate
PC1015869-01	Methyl 3- (4-fluorophenyl) -3-hydroxycyclobutanecarboxylate
OR370129	Methyl 1- (4-bromophenyl) -3-hydroxycyclobutanecarboxylate
TRC-M212820-100MG	(±)-cis-3-Methyl Thiofentanyl
GTR19275214-01	Cis-Methyl 3-aminocyclobutanecarboxylate hydrochloride