3-cyano-1H-indole-7-carboxylic acid - CAS 443144-25-0
Catalog: |
BB073031 |
Product Name: |
3-cyano-1H-indole-7-carboxylic acid |
CAS: |
443144-25-0 |
Synonyms: |
3-cyano-1H-indole-7-carboxylic Acid; 1H-Indole-7-carboxylic acid, 3-cyano-; 1h-indole-7-carboxylic acid,3-cyano-; 3-cyanoindole-7-carboxylic acid; 3-cyano-1H-indole-7-carboxylicAcid |
IUPAC Name: | 3-cyano-1H-indole-7-carboxylic acid |
Molecular Weight: | 186.16 |
Molecular Formula: | C10H6N2O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)C(=O)O)NC=C2C#N |
InChI: | InChI=1S/C10H6N2O2/c11-4-6-5-12-9-7(6)2-1-3-8(9)10(13)14/h1-3,5,12H,(H,13,14) |
InChI Key: | FDASYGXNFLWEMM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS