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56674-87-4 | 4-Oxoadamantane-1-carboxylic acid
CAS No: 56674-87-4 Catalog No: AG00332P MDL No:MFCD01825769
Product Description
Catalog Number:
AG00332P
Chemical Name:
4-Oxoadamantane-1-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 |
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