Ethyl 2- (1-hydroxycyclobutyl) acetate

CAT: 0926-CBA78432-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-CBA78432-01Size:1 g

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CAS Number

27784-32-3

MDL Number

MFCD16749053

Smiles

CCOC (=O) CC1 (CCC1) O

Molecular Formula

C8H14O3

Molecular Weight

158.19 g/mol

Controlled

Chemical Information

Ethyl 2-(1-hydroxycyclobutyl)acetate

CAS Number	27784-32-3
PubChem CID	58134840
IUPAC Name	ethyl 2-(1-hydroxycyclobutyl)acetate
Molecular Formula	C8H14O3
Molecular Weight	158.19
XLogP	1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CCOC(=O)CC1(CCC1)O

InChI

InChI=1S/C8H14O3/c1-2-11-7(9)6-8(10)4-3-5-8/h10H,2-6H2,1H3

InChIKey

MVBVPQPEBUXGLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27784-32-3

CID: 58134840

Formula: C8H14O3

MW: 158.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.19
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	158.094294304
Monoisotopic Mass	158.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
YVB13013-01	Methyl 2- (3-hydroxycyclobutyl) acetate
AVD25887-01	Methyl 2-amino-2- (1-hydroxycyclobutyl) acetate hydrochloride
JBD31752-01	1-{[2- (1-Hydroxycyclobutyl) ethyl]sulfanyl}ethan-1-one
ZXB78020-01	Ethyl 2- (1-aminocyclobutyl) acetate
MEA82305-01	Ethyl 2- (1-aminocyclopentyl) acetate
VHC95104-01	Ethyl 2- (1-fluorocyclobutyl) acetate
JBD30647-01	Tert-Butyl N-[2- (3-hydroxycyclobutyl) ethyl]carbamate
YZB66873-01	2- (1-Hydroxycyclobutyl) propanoic acid
IMB69545-01	-2 (1-Hydroxycyclobutyl) Acetic Acid
DAA19776-01	Ethyl 2- (1-hydroxycyclopentyl) acetate

Catalog	Name
OR317120-01	Ethyl (3-Hydroxycyclobutyl) acetate
OR1057638-01	Ethyl 2- (1-hydroxycyclobutyl) acetate
HY-W057683	Ethyl 2- (3-hydroxycyclobutyl) acetate
sc-326926	Ethyl (1-isocyanatocyclohexyl) acetate
OR905800-01	Ethyl (1-hydroxycyclohexyl) acetate
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IL-0189-HP-5000	1-Ethyl-3-methylimidazolium acetate
RM-I130400-01	Ethyl 1H-Imidazole-1-Acetate
OR1098816-01	Ethyl 2- (1-hydroxycycloheptyl) acetate
OR28241	Ethyl 2- (1-adamantyl) acetate