2- (cyclobutylmethoxy) benzoic acid

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CAS Number

1047680-59-0

MDL Number

MFCD17171058

Smiles

C1 (c (cccc1) OCC1CCC1) C (=O) O

Chemical Information

2-(Cyclobutylmethoxy)benzoic acid

CAS Number	1047680-59-0
PubChem CID	25019429
IUPAC Name	2-(cyclobutylmethoxy)benzoic acid
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	223

SMILES

C1CC(C1)COC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14O3/c13-12(14)10-6-1-2-7-11(10)15-8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,13,14)

InChIKey

AKLGYDDHGCAGBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1047680-59-0

CID: 25019429

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	223
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
OR1080187-01	3- (cyclobutylmethoxy) benzoic acid
OR111482-01	2- (Cyclobutylmethoxy) isonicotinic acid
PC1019680-01	5- (cyclobutylmethoxy) -2-fluorobenzoic acid
PC1019902-01	4- (cyclobutylmethoxy) -2,6-difluorobenzoic acid
OR1003103-01	6- (Cyclobutylmethoxy) nicotinic acid
OR1083951-01	2- (cyclobutylmethoxy) benzaldehyde
OR111481-01	2- (Cyclobutylmethoxy) isonicotinonitrile
OR1085404-01	2- (cyclobutylmethoxy) -5-iodopyridine
OR1090510-01	3- (cyclobutylmethoxy) -5-methylbenzoic acid
OR1083877-01	1- (cyclobutylmethoxy) -2-iodobenzene

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