Home Carboxys Tricyclo[3.3.1.13,7]decane-2-carboxylic acid

Tricyclo[3.3.1.13,7]decane-2-carboxylic acid

CAS No.:
15897-81-1
Catalog Number:
AG001R2S
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
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Product Description
Catalog Number:
AG001R2S
Chemical Name:
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid
CAS Number:
15897-81-1
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD02738135
IUPAC Name:
adamantane-2-carboxylic acid
InChI:
InChI=1S/C11H16O2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,12,13)
InChI Key:
UNGMXQVELCJRIH-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2CC3CC1CC(C2)C3
NSC Number:
193481
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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