5-Methoxy-3h-benzo[e]indole-2-carboxylic acid - CAS 887360-44-3
Catalog: |
BB060063 |
Product Name: |
5-Methoxy-3h-benzo[e]indole-2-carboxylic acid |
CAS: |
887360-44-3 |
Synonyms: |
5-methoxy-3H-benzo[e]indole-2-carboxylic acid; 5-methoxy-3H-benzo[e]indole-2-carboxylicacid |
IUPAC Name: | 5-methoxy-3H-benzo[e]indole-2-carboxylic acid |
Description: | 5-Methoxy-3h-benzo[e]indole-2-carboxylic acid |
Molecular Weight: | 241.24 |
Molecular Formula: | C14H11NO3 |
Canonical SMILES: | COC1=CC2=C(C=C(N2)C(=O)O)C3=CC=CC=C31 |
InChI: | InChI=1S/C14H11NO3/c1-18-13-7-11-10(6-12(15-11)14(16)17)8-4-2-3-5-9(8)13/h2-7,15H,1H3,(H,16,17) |
InChI Key: | SCZZYRMPWQXTEF-UHFFFAOYSA-N |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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