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116656-49-6 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-methyl-, butyl ester
CAS No: 116656-49-6 Catalog No: AG000CYP MDL No:
Product Description
Catalog Number:
AG000CYP
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-methyl-, butyl ester
CAS Number:
116656-49-6
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
butyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C13H20O2/c1-3-4-7-15-12(14)13(2)9-10-5-6-11(13)8-10/h5-6,10-11H,3-4,7-9H2,1-2H3
InChI Key:
ABDSKYPMIZRTDX-UHFFFAOYSA-N
SMILES:
CC1(CC2CC1C=C2)C(=O)OCCCC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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