2-Cyclobutyl-2-hydroxypropanoic acid

CAT: 0926-UJC92011-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UJC92011-01Size:50 mg

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CAS Number

1494920-11-4

MDL Number

MFCD24076294

Smiles

CC (C1CCC1) (C (=O) O) O

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

Controlled

Chemical Information

2-Cyclobutyl-2-hydroxypropanoic acid

CAS Number	1494920-11-4
PubChem CID	81251874
IUPAC Name	2-cyclobutyl-2-hydroxypropanoic acid
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	151

SMILES

CC(C1CCC1)(C(=O)O)O

InChI

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

InChIKey

VJLDFXAZWOOAEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1494920-11-4

CID: 81251874

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	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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CPC86822-01	2-Cyclobutyl-2-methoxyacetic acid

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