3-Ethoxycyclobutane-1-carboxylic acid

CAT: 0926-WSC51910-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WSC51910-01Size:50 mg

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CAS Number

1696519-10-4

MDL Number

MFCD26381330

Smiles

CCOC1CC (C1) C (=O) O

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

Controlled

Chemical Information

3-Ethoxycyclobutane-1-carboxylic acid

CAS Number	1696519-10-4
PubChem CID	97616679
IUPAC Name	3-ethoxycyclobutane-1-carboxylic acid
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.5
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	127

SMILES

CCOC1CC(C1)C(=O)O

InChI

InChI=1S/C7H12O3/c1-2-10-6-3-5(4-6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)

InChIKey

YGZXZRBNENMLIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1696519-10-4

CID: 97616679

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.5
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	127
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
PCC98055-01	1-Ethoxycyclobutane-1-carboxylic acid
USC15162-01	1- (Bromomethyl) -3-ethoxycyclobutane
JCA13894-01	1-Bromo-3-ethoxycyclobutane
TDA28087-01	1-Chloro-3-ethoxycyclobutane
SSC82674-01	3-Ethoxycyclobutane-1-sulfonyl chloride
GGD25909-01	1- (Bromomethyl) -1-ethoxycyclobutane
GGD26938-01	Methyl 1-ethoxycyclobutane-1-carboxylate
NKB97080-01	3-Fluorocyclohexane-1-carboxylic acid
SDC69059-01	1-Methanesulfonylpyrrolidine-3-carboxylic acid
SDC44444-01	1-Difluoromethanesulfonylazetidine-3-carboxylic acid

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