2,5-Dimethyl-1H-pyrrole-3-carbaldehyde - CAS 2199-63-5
Catalog: |
BB017260 |
Product Name: |
2,5-Dimethyl-1H-pyrrole-3-carbaldehyde |
CAS: |
2199-63-5 |
Synonyms: |
2,5-dimethyl-1H-pyrrole-3-carboxaldehyde; 2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
IUPAC Name: | 2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
Description: | 2,5-Dimethyl-1H-pyrrole-3-carbaldehyde (CAS# 2199-63-5) is a useful research chemical. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=CC(=C(N1)C)C=O |
InChI: | InChI=1S/C7H9NO/c1-5-3-7(4-9)6(2)8-5/h3-4,8H,1-2H3 |
InChI Key: | GTWDXQPFVZMHNZ-UHFFFAOYSA-N |
Boiling Point: | 251.2 ℃ at 760 mmHg |
Density: | 1.099 g/cm3 |
LogP: | 1.44400 |
Publication Number | Title | Priority Date |
EP-3350167-A1 | Androgen receptor antagonists | 20150904 |
JP-2018534243-A | Androgen receptor antagonist | 20150904 |
US-10428048-B2 | Androgen receptor antagonists | 20150904 |
US-2018244650-A1 | Androgen receptor antagonists | 20150904 |
WO-2017041040-A1 | Androgen receptor antagonists | 20150904 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyrroles
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