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Home > Other Heterocycles > 733766-37-5
733766-37-5 | PENTANOIC ACID BICYCLO[2.2.1]HEPT-2-YL ESTER
CAS No: 733766-37-5 Catalog No: AG005EJD MDL No:
Product Description
Catalog Number:
AG005EJD
Chemical Name:
PENTANOIC ACID BICYCLO[2.2.1]HEPT-2-YL ESTER
CAS Number:
733766-37-5
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-bicyclo[2.2.1]heptanyl pentanoate
InChI:
InChI=1S/C12H20O2/c1-2-3-4-12(13)14-11-8-9-5-6-10(11)7-9/h9-11H,2-8H2,1H3
InChI Key:
NWQJXWUKTNXBQK-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC1CC2CC1CC2
Properties
Complexity:
212
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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