Methyl 2- (1-hydroxycyclobutyl) acetate

CAT: 0127-OR1099271Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1099271Size:1 g

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CAS Number

1692197-94-6

MDL Number

MFCD30334949

Purity

97%

Smiles

C (C (=O) OC) C1 (O) CCC1

Chemical Information

Methyl 2-(1-hydroxycyclobutyl)acetate

CAS Number	1692197-94-6
PubChem CID	59069629
IUPAC Name	methyl 2-(1-hydroxycyclobutyl)acetate
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	138

SMILES

COC(=O)CC1(CCC1)O

InChI

InChI=1S/C7H12O3/c1-10-6(8)5-7(9)3-2-4-7/h9H,2-5H2,1H3

InChIKey

XRVRNWKSIPHHRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1692197-94-6

CID: 59069629

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138
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
OR304368-01	Methyl 2- (3-hydroxycyclobutyl) acetate
OR1091303-01	Isopropyl 2- (1-hydroxycyclobutyl) acetate
OR1057638-01	Ethyl 2- (1-hydroxycyclobutyl) acetate
OR1081939-01	Tert-butyl 2- (1-hydroxycyclobutyl) acetate
OR317120-01	Ethyl (3-Hydroxycyclobutyl) acetate
OR1097842-01	Methyl 2- (1-hydroxycyclooctyl) acetate
OR1086051-01	Benzoic acid, 4- (1-hydroxycyclobutyl) -, methyl ester
OR1047628-01	2- (1-Hydroxycyclobutyl) propanoic acid
OR87334-01	2- (1-Hydroxycyclobutyl) acetic acid
OR1046577-01	2- (1-Hydroxycyclobutyl) -2-phenylacetic acid

Catalog	Name
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