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853058-40-9 | Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
CAS No: 853058-40-9 Catalog No: AG004LP3 MDL No:MFCD10566518
Product Description
Catalog Number:
AG004LP3
Chemical Name:
Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
CAS Number:
853058-40-9
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD10566518
IUPAC Name:
diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
InChI:
InChI=1S/C10H14N2O4/c1-3-15-9(13)6-5-12-8(7(6)11)10(14)16-4-2/h5,12H,3-4,11H2,1-2H3
InChI Key:
JLMFCRWHSHFKAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1N)C(=O)OCC
Properties
Complexity:
270
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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