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179060-34-5 | Furo[3,2-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 179060-34-5 Catalog No: AG0026RJ MDL No:MFCD22574995
Product Description
Catalog Number:
AG0026RJ
Chemical Name:
Furo[3,2-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
179060-34-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD22574995
IUPAC Name:
tert-butyl 6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-6-4-10-9(8-13)5-7-15-10/h5,7H,4,6,8H2,1-3H3
InChI Key:
AEIQKXMKADMJOP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cco2)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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