1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic Acid - CAS 76945-40-9
Catalog: |
BB061521 |
Product Name: |
1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic Acid |
CAS: |
76945-40-9 |
Synonyms: |
(±)-1-Acetyl-2,5-dihydro-1H-Pyrrole-2-carboxylic Acid |
IUPAC Name: | 1-acetyl-2,5-dihydropyrrole-2-carboxylic acid |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CC(=O)N1CC=CC1C(=O)O |
InChI: | InChI=1S/C7H9NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h2-3,6H,4H2,1H3,(H,10,11) |
InChI Key: | VBHKUSGNBBQVID-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012004182-A1 | Pharmaceutical compositions and methods for induction and enhancement of apoptosis in tumor cells | 20100702 |
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US-2008167250-A1 | Method For Induction and Enhancement of Apoptosis In Tumor Cells | 20050726 |
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US-2003232760-A1 | Conjugates useful in the treatment of prostate cancer | 20010921 |
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CZ-155599-A3 | Conjugate for treatment of prostate cancer | 19961030 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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