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876294-66-5 | 3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]propanoic acid
CAS No: 876294-66-5 Catalog No: AG00J61J MDL No:MFCD09871352
Product Description
Catalog Number:
AG00J61J
Chemical Name:
3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]propanoic acid
CAS Number:
876294-66-5
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD09871352
IUPAC Name:
3-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)propanoic acid
InChI:
InChI=1S/C12H17NO4/c1-4-17-12(16)10-7-8(2)13(9(10)3)6-5-11(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChI Key:
ZMEURRCNVLHWSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(n(c1C)CCC(=O)O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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