Methyl 3-hydroxycyclobutanecarboxylate

CAT: 0127-OR317062-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR317062-01Size:5 g

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CAS Number

4934-99-0

Synonyms

Methyl 3-hydroxycyclobutane-1-carboxylate

MDL Number

MFCD00512755

Purity

98%

Smiles

COC(=O)C1CC(O)C1

Storage Conditions

Store at 2-8°C

Chemical Information

Cyclobutanecarboxylic acid, 3-hydroxy-, methyl ester

CAS Number	4934-99-0
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: 4934-99-0

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
OR317100-01	Methyl cis-3-hydroxycyclobutanecarboxylate
OR317101-01	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
OR317073	Benzyl 3-hydroxycyclobutanecarboxylate
OR949364-01	Cis-Methyl 2,2-dimethyl-3-hydroxycyclobutanecarboxylate
OR1069909-01	Benzyl trans-3-hydroxycyclobutanecarboxylate
OR51893	Ethyl cis-3-hydroxycyclobutanecarboxylate

Catalog	Name
sc-506694	Methyl trans-3-hydroxycyclobutanecarboxylate
63485-50-7-01	Cis-Methyl 3-Hydroxycyclobutanecarboxylate
NCA48550	Methyl cis-3-hydroxycyclobutanecarboxylate
NCA48551-01	Trans-methyl 3-hydroxycyclobutanecarboxylate
455282-01	Methyl 3-Methyl-3- (methylamino) butanoate
JH913511	3-Methyl-3-[ (methylsulfonyl) methyl]azetidine
TRC-M322975-500MG	Methyl 3-Methyl-3-(methylamino)butanoate
TNA30512-01	Methyl 3- (3-methoxyphenyl) -2-methyl-3-oxopropanoate
M357200	Methyl 2-Methyl-3-oxo-3-phenylpropanoate
GWC08128-01	[ (3-Ethoxyoxolan-3-yl) methyl] (methyl) amine