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2348-91-6

2348-91-6 | 2-Cyclopentene-1-heptanoic acid

CAS No: 2348-91-6 Catalog No: AG002NDI MDL No:

Product Description

Catalog Number:
AG002NDI
Chemical Name:
2-Cyclopentene-1-heptanoic acid
CAS Number:
2348-91-6
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
7-cyclopent-2-en-1-ylheptanoic acid
InChI:
InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
InChI Key:
GMYNCKRSFMEXPG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC1CCC=C1

Properties

Complexity:
197  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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