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CYCLOHEPTYLACETIC ACID

CAS No.:
4401-20-1
Catalog Number:
AG0034NF
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG0034NF
Chemical Name:
CYCLOHEPTYLACETIC ACID
CAS Number:
4401-20-1
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD01075701
IUPAC Name:
2-cycloheptylacetic acid
InChI:
InChI=1S/C9H16O2/c10-9(11)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,10,11)
InChI Key:
DQNWKASPZFJVMJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCCC1
NSC Number:
18970
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties