Home Carbonyls 5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-4-Carboxylic Acid

5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-4-Carboxylic Acid

CAS No.:
1250997-59-1
Catalog Number:
AG00HHXT
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
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Product Description
Catalog Number:
AG00HHXT
Chemical Name:
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-4-Carboxylic Acid
CAS Number:
1250997-59-1
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
MDL Number:
MFCD14581116
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-7-8(14-6-13-7)9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)
InChI Key:
QSIMQYFAMRGECB-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1C(=O)O)[nH]cn2)OC(C)(C)C
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties