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19026-80-3 | Tricyclo[3.3.1.13,7]decane-1-acetic acid, hydrazide
CAS No: 19026-80-3 Catalog No: AG002EFL MDL No:MFCD00185799
Product Description
Catalog Number:
AG002EFL
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetic acid, hydrazide
CAS Number:
19026-80-3
Molecular Formula:
C12H20N2O
Molecular Weight:
208.3000
MDL Number:
MFCD00185799
IUPAC Name:
2-(1-adamantyl)acetohydrazide
InChI:
InChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)
InChI Key:
ZORPHDZMMHDLAM-UHFFFAOYSA-N
SMILES:
NNC(=O)CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.305g/mol
Monoisotopic Mass:
208.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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