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70684-84-3 | 1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CAS No: 70684-84-3 Catalog No: AG0032OK MDL No:MFCD02682417
Product Description
Catalog Number:
AG0032OK
Chemical Name:
1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CAS Number:
70684-84-3
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD02682417
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4H,5-7H2,1-3H3,(H,13,14)
InChI Key:
XMOGRJIQFWJZDG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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