3-Hydroxy-5-nitrobenzoic acid - CAS 78238-14-9
Catalog: |
BB036132 |
Product Name: |
3-Hydroxy-5-nitrobenzoic acid |
CAS: |
78238-14-9 |
Synonyms: |
3-hydroxy-5-nitrobenzoic acid |
IUPAC Name: | 3-hydroxy-5-nitrobenzoic acid |
Description: | 3-Hydroxy-5-nitrobenzoic acid (CAS# 78238-14-9) is a useful research chemical. |
Molecular Weight: | 183.12 |
Molecular Formula: | C7H5NO5 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])O)C(=O)O |
InChI: | InChI=1S/C7H5NO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11) |
InChI Key: | ZVLLYIMPDTXFNC-UHFFFAOYSA-N |
Boiling Point: | 423.5 °C at 760 mmHg |
Melting Point: | 190-195 °C |
Purity: | 95 % |
Density: | 1.631 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01098212 |
LogP: | 1.52180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3246706-A1 | Method for specific cleavage of c(alpha)-c bond and side chain of protein and peptide, and method for determining amino acid sequence | 20160516 |
JP-2017207312-A | Cα-C bond and side chain specific cleavage method of protein and peptide, and amino acid sequencing method | 20160516 |
JP-6587976-B2 | Cα-C bond and side chain specific cleavage method of protein and peptide, and amino acid sequencing method | 20160516 |
US-10626141-B2 | Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence | 20160516 |
US-2017327533-A1 | METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE | 20160516 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.01677226 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.01677226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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