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6203-08-3 | Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CAS No: 6203-08-3 Catalog No: AG003RZL MDL No:MFCD00167592
Product Description
Catalog Number:
AG003RZL
Chemical Name:
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CAS Number:
6203-08-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00167592
IUPAC Name:
methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3
InChI Key:
RMAZRAQKPTXZNL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CC1C=C2
NSC Number:
69065
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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