Home Carboxys 1-phenylcycloheptane-1-carboxylic acid

1-phenylcycloheptane-1-carboxylic acid

CAS No.:
7086-29-5
Catalog Number:
AG00G22F
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00G22F
Chemical Name:
1-phenylcycloheptane-1-carboxylic acid
CAS Number:
7086-29-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD11188900
IUPAC Name:
1-phenylcycloheptane-1-carboxylic acid
InChI:
InChI=1S/C14H18O2/c15-13(16)14(10-6-1-2-7-11-14)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)
InChI Key:
DEFBPPYKOPTXIJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCCC1)c1ccccc1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties