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126092-96-4 | 1h-pyrrole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, methyl ester
CAS No: 126092-96-4 Catalog No: AG000RM1 MDL No:MFCD11111405
Product Description
Catalog Number:
AG000RM1
Chemical Name:
1h-pyrrole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, methyl ester
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
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