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Home > Other Heterocycles > 93963-21-4
93963-21-4 | BICYCLO[2.2.1]HEPT-5-EN-2-YL ISOBUTYRATE
CAS No: 93963-21-4 Catalog No: AG006AN5 MDL No:
Product Description
Catalog Number:
AG006AN5
Chemical Name:
BICYCLO[2.2.1]HEPT-5-EN-2-YL ISOBUTYRATE
CAS Number:
93963-21-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
2-bicyclo[2.2.1]hept-5-enyl 2-methylpropanoate
InChI:
InChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3
InChI Key:
UHBUKFKTICTRIO-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC1CC2CC1C=C2)C
EC Number:
300-762-7
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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