| CAS Number | 879-55-0 |
| Catalog Number | AG00IETD(AGN-PC-09RPJO) |
| Chemical Name | Benzenemethanol, 5-methoxy-2-nitro- |
| IUPAC Name | (5-methoxy-2-nitrophenyl)methanol |
| InChI | InChI=1S/C8H9NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-4,10H,5H2,1H3 |
| InChI Key | SBAKUYPHABTDLL-UHFFFAOYSA-N |
| MDL Number | MFCD09261036 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | COC1=CC(CO)=C([N+]([O-])=O)C=C1 |
| Synonyms | (5-Methoxy-2-nitrophenyl)methanol,
879-55-0,
(5-Methoxy-2-nitro-phenyl)-methanol,
5-METHOXY-2-NITROBENZYL ALCOHOL,
SCHEMBL1289600,
2-Nitro-5-methoxybenzyl alcohol,
DTXSID90695489,
SBAKUYPHABTDLL-UHFFFAOYSA-N,
Benzenemethanol, 5-methoxy-2-nitro-,
ZINC95830766,
AKOS006331997,
AJ-134905,
5-Methoxy-2-nitrobenzylalcohol,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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