Home Carboxys 4-Cycloheptene-1-carboxylic acid

4-Cycloheptene-1-carboxylic acid

CAS No.:
1614-73-9
Catalog Number:
AG001SG3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG001SG3
Chemical Name:
4-Cycloheptene-1-carboxylic acid
CAS Number:
1614-73-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00021676
IUPAC Name:
cyclohept-4-ene-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H,9,10)
InChI Key:
MVALBWJIVQGSGK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC=CCC1
NSC Number:
158708
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties