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1437486-22-0 | Carbamic acid, N-(3-formyl-6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1437486-22-0 Catalog No: AG001IB2 MDL No:
Product Description
Catalog Number:
AG001IB2
Chemical Name:
Carbamic acid, N-(3-formyl-6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1437486-22-0
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
tert-butyl N-(3-formyl-6-methylpyridin-2-yl)carbamate
InChI:
InChI=1S/C12H16N2O3/c1-8-5-6-9(7-15)10(13-8)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,13,14,16)
InChI Key:
XHCVBZIKKDODKR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1NC(=O)OC(C)(C)C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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