Home Carboxys 2-Adamantanone-5-carboxylic acid

2-Adamantanone-5-carboxylic acid

CAS No.:
56674-87-4
Catalog Number:
AG00332P
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$52
- +
1g
95%
1 week
United States
$55
- +
5g
95%
1 week
United States
$78
- +
Product Description
Catalog Number:
AG00332P
Chemical Name:
2-Adamantanone-5-carboxylic acid
CAS Number:
56674-87-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD01825769
IUPAC Name:
4-oxoadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
InChI Key:
VFNJWHFPIRNNRQ-UHFFFAOYSA-N
SMILES:
O=C1C2CC3CC1CC(C2)(C3)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties