| CAS Number | 55970-06-4 |
| Catalog Number | AG00D840(AGN-PC-0WOIPO) |
| Chemical Name | methyl 3H-benzo[e]indole-2-carboxylate |
| IUPAC Name | methyl 3H-benzo[e]indole-2-carboxylate |
| InChI | InChI=1S/C14H11NO2/c1-17-14(16)13-8-11-10-5-3-2-4-9(10)6-7-12(11)15-13/h2-8,15H,1H3 |
| InChI Key | UGJMOZWQIMQPKM-UHFFFAOYSA-N |
| MDL Number | MFCD06653376 |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.2426 |
| SMILES | COC(C1NC2=CC=C3C(=C2C=1)C=CC=C3)=O |
| Synonyms | methyl 3H-benzo[e]indole-2-carboxylate,
55970-06-4,
3H-Benzo[e]indole-2-carboxylic acid methyl ester,
AC1NFX39,
SCHEMBL5567512,
CTK6I8031,
ZINC4235036,
BBL021030,
MFCD06653376,
STK893736,
AKOS000123954,
MCULE-5351075919,
CJ-11631,
H8323,
V6617,
Z307663264,
C14H11NO2,
ZINC04235036,
CID4715275,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.247g/mol |
| Monoisotopic Mass | 225.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number