5-(Piperazin-1-ylmethyl)thiophene-2-carboxylic acid - CAS 1174868-30-4
Catalog: |
BB053233 |
Product Name: |
5-(Piperazin-1-ylmethyl)thiophene-2-carboxylic acid |
CAS: |
1174868-30-4 |
Synonyms: |
5-(piperazinylmethyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-(piperazin-1-ylmethyl)thiophene-2-carboxylic acid |
Molecular Weight: | 226.3 |
Molecular Formula: | C10H14N2O2S |
Canonical SMILES: | C1CN(CCN1)CC2=CC=C(S2)C(=O)O |
InChI: | InChI=1S/C10H14N2O2S/c13-10(14)9-2-1-8(15-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2,(H,13,14) |
InChI Key: | YESZFUIPTKBKKQ-UHFFFAOYSA-N |
Boiling Point: | 399.9±42.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.07759887 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.07759887 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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