Home Carboxys tert-butyl 7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridine-1-carboxylate

CAS No.:
1803590-95-5
Catalog Number:
AG01BFFD
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
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Product Description
Catalog Number:
AG01BFFD
Chemical Name:
tert-butyl 7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridine-1-carboxylate
CAS Number:
1803590-95-5
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD28118573
IUPAC Name:
tert-butyl 7-oxo-6H-pyrrolo[2,3-c]pyridine-1-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-7-5-8-4-6-13-10(15)9(8)14/h4-7H,1-3H3,(H,13,15)
InChI Key:
UUVKBXUBYQEJAJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1n(cc2)C(=O)OC(C)(C)C
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties