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1460-16-8 | Cycloheptane carboxylic acid
CAS No: 1460-16-8 Catalog No: AG001DLT MDL No:MFCD00004152
Product Description
Catalog Number:
AG001DLT
Chemical Name:
Cycloheptane carboxylic acid
CAS Number:
1460-16-8
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00004152
IUPAC Name:
cycloheptanecarboxylic acid
InChI:
InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChI Key:
VZFUCHSFHOYXIS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCCC1
EC Number:
215-954-5
NSC Number:
18964
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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