4-(Carboxymethyl)-3-nitrobenzoic Acid - CAS 444667-11-2
Catalog: |
BB025619 |
Product Name: |
4-(Carboxymethyl)-3-nitrobenzoic Acid |
CAS: |
444667-11-2 |
Synonyms: |
4-(carboxymethyl)-3-nitrobenzoic acid; 4-(carboxymethyl)-3-nitrobenzoic acid |
IUPAC Name: | 4-(carboxymethyl)-3-nitrobenzoic acid |
Description: | 4-(Carboxymethyl)-3-nitrobenzoic Acid (CAS# 444667-11-2) is a useful research chemical. |
Molecular Weight: | 225.15 |
Molecular Formula: | C9H7NO6 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C9H7NO6/c11-8(12)4-5-1-2-6(9(13)14)3-7(5)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14) |
InChI Key: | IKQGHWIOQHURNN-UHFFFAOYSA-N |
Boiling Point: | 463.6 ℃ at 760 mmHg |
Density: | 1.594 g/cm3 |
LogP: | 1.44330 |
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 |
US-2006173183-A1 | Multicyclic bis-amide MMP inhibitors | 20041231 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.02733694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.02733694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 120 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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