Home Carboxys Adamantane-1-carboxylic acid methyl ester

Adamantane-1-carboxylic acid methyl ester

CAS No.:
711-01-3
Catalog Number:
AG003NOV
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$125
- +
25g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG003NOV
Chemical Name:
Adamantane-1-carboxylic acid methyl ester
CAS Number:
711-01-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD01838519
IUPAC Name:
methyl adamantane-1-carboxylate
InChI:
InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3
InChI Key:
CLYOOVNORYNXMD-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties