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131295-27-7 | 2-Cyclopropene-1-carboxylic acid, 2-hexyl-, ethyl ester
CAS No: 131295-27-7 Catalog No: AG000VVQ MDL No:
Product Description
Catalog Number:
AG000VVQ
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2-hexyl-, ethyl ester
CAS Number:
131295-27-7
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
ethyl 2-hexylcycloprop-2-ene-1-carboxylate
InChI:
InChI=1S/C12H20O2/c1-3-5-6-7-8-10-9-11(10)12(13)14-4-2/h9,11H,3-8H2,1-2H3
InChI Key:
INFUVDNGPQPBES-UHFFFAOYSA-N
SMILES:
CCCCCCC1=CC1C(=O)OCC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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