Home Carboxys 1-Phenyl-3-adamantanecarboxylic acid

1-Phenyl-3-adamantanecarboxylic acid

CAS No.:
37589-22-3
Catalog Number:
AG00C73A
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00C73A
Chemical Name:
1-Phenyl-3-adamantanecarboxylic acid
CAS Number:
37589-22-3
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
MDL Number:
MFCD01673970
IUPAC Name:
3-phenyladamantane-1-carboxylic acid
InChI:
InChI=1S/C17H20O2/c18-15(19)17-9-12-6-13(10-17)8-16(7-12,11-17)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,18,19)
InChI Key:
APWLCUAAISKVPI-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C1)CC(C2)(C3)c1ccccc1
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties