1-(2-methylpropyl)-1H-pyrrole-3-carboxylic acid - CAS 1330751-81-9
Catalog: |
BB007684 |
Product Name: |
1-(2-methylpropyl)-1H-pyrrole-3-carboxylic acid |
CAS: |
1330751-81-9 |
Synonyms: |
1-(2-methylpropyl)-3-pyrrolecarboxylic acid; 1-(2-methylpropyl)pyrrole-3-carboxylic acid |
IUPAC Name: | 1-(2-methylpropyl)pyrrole-3-carboxylic acid |
Description: | 1-(2-methylpropyl)-1H-pyrrole-3-carboxylic acid (CAS# 1330751-81-9 ) is a useful research chemical. |
Molecular Weight: | 167.208 |
Molecular Formula: | C9H13NO2 |
Canonical SMILES: | CC(C)CN1C=CC(=C1)C(=O)O |
InChI: | InChI=1S/C9H13NO2/c1-7(2)5-10-4-3-8(6-10)9(11)12/h3-4,6-7H,5H2,1-2H3,(H,11,12) |
InChI Key: | YWRUHLHNSFNQES-UHFFFAOYSA-N |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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