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127745-59-9 | 4-Azatricyclo[2.2.1.02,6]heptane-1-carboxylic acid, methyl ester (9CI)
CAS No: 127745-59-9 Catalog No: AG000XDS MDL No:
Product Description
Catalog Number:
AG000XDS
Chemical Name:
4-Azatricyclo[2.2.1.02,6]heptane-1-carboxylic acid, methyl ester (9CI)
CAS Number:
127745-59-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
methyl 4-azatricyclo[2.2.1.02,6]heptane-1-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-11-7(10)8-4-9-2-5(8)6(8)3-9/h5-6H,2-4H2,1H3
InChI Key:
LMLFWALLPVKQBH-UHFFFAOYSA-N
SMILES:
COC(=O)C12CN3CC1C2C3
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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