| CAS Number | 359864-61-2 |
| Catalog Number | AG01AILQ |
| Chemical Name | 6-methoxy-7-nitro-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 6-methoxy-7-nitro-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C10H10N2O4/c1-16-9-4-6-2-3-10(13)11-7(6)5-8(9)12(14)15/h4-5H,2-3H2,1H3,(H,11,13) |
| InChI Key | RQHQOJGLMDXOQX-UHFFFAOYSA-N |
| MDL Number | MFCD11935501 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | COC1=C([N+]([O-])=O)C=C2C(CCC(N2)=O)=C1 |
| Synonyms | 359864-61-2,
6-methoxy-7-nitro-3,4-dihydroquinolin-2(1H)-one,
6-methoxy-7-nitro-1,2,3,4-tetrahydroquinolin-2-one,
SCHEMBL2206012,
RQHQOJGLMDXOQX-UHFFFAOYSA-N,
ZINC38540867,
AKOS033550736,
MCULE-7554841072,
NE45021,
EN001394,
FT-0750285,
6-(methyloxy)-7-nitro-3,4-dihydro-2(1H)-quinolinone,
Z1695797929,
CID10944047,
6-methoxy-7-nitro-3,4-dihydro-1H-quinolin-2-one,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number