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709666-22-8 | 3-(tert-Butoxycarbonylamino)-5-methoxyisonicotinic acid AldrichCPR
CAS No: 709666-22-8 Catalog No: AG003IA8 MDL No:MFCD11052840
Product Description
Catalog Number:
AG003IA8
Chemical Name:
3-(tert-Butoxycarbonylamino)-5-methoxyisonicotinic acid AldrichCPR
CAS Number:
709666-22-8
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
MDL Number:
MFCD11052840
IUPAC Name:
3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-7-5-13-6-8(18-4)9(7)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChI Key:
NFKMWUQJFMOTPS-UHFFFAOYSA-N
SMILES:
COc1cncc(c1C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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