Methyl 3-Cyclopropylpropiolate

CAT: 0926-FDA86648-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FDA86648-01Size:0.5 g

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CAS Number

80866-48-4

MDL Number

MFCD03035227

Smiles

COC (=O) C#CC1CC1

Molecular Formula

C7H8O2

Molecular Weight

124.14 g/mol

Controlled

Chemical Information

Methyl 3-cyclopropylprop-2-ynoate

CAS Number	80866-48-4
PubChem CID	701378
IUPAC Name	methyl 3-cyclopropylprop-2-ynoate
Molecular Formula	C7H8O2
Molecular Weight	124.14
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	178

SMILES

COC(=O)C#CC1CC1

InChI

InChI=1S/C7H8O2/c1-9-7(8)5-4-6-2-3-6/h6H,2-3H2,1H3

InChIKey

JXHTVVYMKULOIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80866-48-4

CID: 701378

Formula: C7H8O2

MW: 124.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.14
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	124.052429494
Monoisotopic Mass	124.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	178
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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