Methyl Cyclobutylideneacetate

CAT: 0127-OR1003193-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003193-01Size:250 mg

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CAS Number

143140-39-0

MDL Number

MFCD12405321

Purity

95%

Smiles

COC(=O)[CH]=[C]1C[CH2]C1

Chemical Information

Methyl 2-cyclobutylideneacetate

CAS Number	143140-39-0
PubChem CID	45480504
IUPAC Name	methyl 2-cyclobutylideneacetate
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	141

SMILES

COC(=O)C=C1CCC1

InChI

InChI=1S/C7H10O2/c1-9-7(8)5-6-3-2-4-6/h5H,2-4H2,1H3

InChIKey

AXSGAQISQQNVKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 143140-39-0

CID: 45480504

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	141
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

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