Dimethyl 5-Cyanoisophthalate - CAS 23340-69-4
Catalog: |
BB018011 |
Product Name: |
Dimethyl 5-Cyanoisophthalate |
CAS: |
23340-69-4 |
Synonyms: |
5-cyanobenzene-1,3-dicarboxylic acid dimethyl ester; dimethyl 5-cyanobenzene-1,3-dicarboxylate |
IUPAC Name: | dimethyl 5-cyanobenzene-1,3-dicarboxylate |
Description: | Dimethyl 5-Cyanoisophthalate (CAS# 23340-69-4) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C#N)C(=O)OC |
InChI: | InChI=1S/C11H9NO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,1-2H3 |
InChI Key: | VCBJSDVXWATFEQ-UHFFFAOYSA-N |
LogP: | 1.13148 |
Publication Number | Title | Priority Date |
WO-2008119772-A1 | Amide derivatives as inhibitors of aspartyl proteases | 20070330 |
CA-1068696-A | Catalytic trimerization of aromatic nitriles and triaryl-s-triazine ring cross-linked high temperature resistant polymers and co-polymers made thereby | 19741010 |
US-4061856-A | Trimerization of aromatic nitriles | 19741010 |
US-4159262-A | Catalytic trimerization of aromatic nitriles and triaryl-s-triazine ring cross-linked high temperature resistant polymers and copolymers made thereby | 19741010 |
US-4021415-A | Nitrile containing aromatic polyamide polymers | 19740214 |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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