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1220039-69-9 | 2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1220039-69-9 Catalog No: AG0016KV MDL No:MFCD15475010
Product Description
Catalog Number:
AG0016KV
Chemical Name:
2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1220039-69-9
Molecular Formula:
C12H23ClN2O2
Molecular Weight:
262.7762
MDL Number:
MFCD15475010
IUPAC Name:
tert-butyl 1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-7-9-4-5-13-6-10(9)8-14;/h9-10,13H,4-8H2,1-3H3;1H
InChI Key:
GCBPCLVBEAVQER-UHFFFAOYSA-N
SMILES:
O=C(N1CC2C(C1)CCNC2)OC(C)(C)C.Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.778g/mol
Monoisotopic Mass:
262.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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