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786577-75-1 | 8-Azabicyclo[3.2.1]oct-3-ene-2-carboxylicacid, 8-methyl-, (1R)-
CAS No: 786577-75-1 Catalog No: AG005K0O MDL No:
Product Description
Catalog Number:
AG005K0O
Chemical Name:
8-Azabicyclo[3.2.1]oct-3-ene-2-carboxylicacid, 8-methyl-, (1R)-
CAS Number:
786577-75-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
(1R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h2,4,6-8H,3,5H2,1H3,(H,11,12)/t6?,7?,8-/m1/s1
InChI Key:
BBBNTRDOFVZKBT-KAVNDROISA-N
SMILES:
OC(=O)C1C=CC2N([C@@H]1CC2)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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