Methyl 4-methyl-4-nitropentanoate - CAS 16507-02-1
Catalog: |
BB012166 |
Product Name: |
Methyl 4-methyl-4-nitropentanoate |
CAS: |
16507-02-1 |
Synonyms: |
methyl 4-methyl-4-nitropentanoate |
IUPAC Name: | methyl 4-methyl-4-nitropentanoate |
Description: | Methyl 4-methyl-4-nitropentanoate (CAS# 16507-02-1) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C7H13NO4 |
Canonical SMILES: | CC(C)(CCC(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C7H13NO4/c1-7(2,8(10)11)5-4-6(9)12-3/h4-5H2,1-3H3 |
InChI Key: | MROVMGGCWUQHMR-UHFFFAOYSA-N |
Boiling Point: | 79 °C / 1 mmHg (lit.) |
Density: | 1.114 g/mL at 25°C(lit.) |
MDL: | MFCD00047757 |
LogP: | 1.51810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020243178-A1 | Heterocyclic compounds as prmt5 inhibitors | 20190530 |
WO-2020108500-A1 | Histone acetylase p300 inhibitor and use thereof | 20181127 |
EP-3889138-A1 | Histone acetylase p300 inhibitor and use thereof | 20181127 |
KR-20210087964-A | Histone acetylase p300 inhibitors and uses thereof | 20181127 |
EP-3805223-A1 | 2,3-dihydro-1h-pyrrolizine-7-formamide derivative and application thereof | 20180525 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.08445790 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.08445790 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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