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Methyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylate

CAS No.:
126092-96-4
Catalog Number:
AG000RM1
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$163
- +
5g
97%
1 week
United States
$413
- +
25g
97%
1 week
United States
$1260
- +
Product Description
Catalog Number:
AG000RM1
Chemical Name:
Methyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylate
CAS Number:
126092-96-4
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
MDL Number:
MFCD11111405
IUPAC Name:
methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate
InChI:
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)13-8-6-9(10(15)17-5)14(4)7-8/h6-7H,1-5H3,(H,13,16)
InChI Key:
KUISTFIATJPTNA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cn1C)NC(=O)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties