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903094-16-6 | 1H-Pyrrole-3-carboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 903094-16-6 Catalog No: AG006FWO MDL No:
Product Description
Catalog Number:
AG006FWO
Chemical Name:
1H-Pyrrole-3-carboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
903094-16-6
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O4/c1-10(2,3)16-9(15)12-7-6(8(13)14)4-5-11-7/h4-5,11H,1-3H3,(H,12,15)(H,13,14)
InChI Key:
FHMXCGVRBUWDFB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1[nH]ccc1C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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