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119103-15-0 | 1-Azabicyclo[2.2.1]heptane-4-carboxylic acid
CAS No: 119103-15-0 Catalog No: AG000I8B MDL No:MFCD19199991
Product Description
Catalog Number:
AG000I8B
Chemical Name:
1-Azabicyclo[2.2.1]heptane-4-carboxylic acid
CAS Number:
119103-15-0
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD19199991
IUPAC Name:
1-azabicyclo[2.2.1]heptane-4-carboxylic acid
InChI:
InChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10)
InChI Key:
CWVQBVRGOKBTQJ-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCN(C2)CC1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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