[3-(Ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-1-yl]acetic acid - CAS 679797-46-7
Catalog: |
BB056027 |
Product Name: |
[3-(Ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-1-yl]acetic acid |
CAS: |
679797-46-7 |
Synonyms: |
[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid; [3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]-acetic acid; 2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid; 2-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid; 2-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)acetic acid |
IUPAC Name: | 2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid |
Description: | [3-(Ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-1-yl]acetic acid |
Molecular Weight: | 225.24 |
Molecular Formula: | C11H15NO4 |
Canonical SMILES: | CCOC(=O)C1=C(N(C(=C1)C)CC(=O)O)C |
InChI: | InChI=1S/C11H15NO4/c1-4-16-11(15)9-5-7(2)12(8(9)3)6-10(13)14/h5H,4,6H2,1-3H3,(H,13,14) |
InChI Key: | FEPDGYZIZNYFGD-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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