| CAS Number | 528594-30-1 |
| Catalog Number | AG00D96L(AGN-PC-03Y4QV) |
| Chemical Name | Phenol, 2-methoxy-4-(2-nitroethyl)- (9CI) |
| IUPAC Name | 2-methoxy-4-(2-nitroethyl)phenol |
| InChI | InChI=1S/C9H11NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-3,6,11H,4-5H2,1H3 |
| InChI Key | SRXYTHWJEJQHCP-UHFFFAOYSA-N |
| MDL Number | MFCD03410699 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | COC1=C(C=CC(=C1)CC[N+](=O)[O-])O |
| Synonyms | 2-METHOXY-4-(2-NITROETHYL)PHENOL,
528594-30-1,
Phenol, 2-methoxy-4-(2-nitroethyl)- (9CI),
SCHEMBL4373378,
DTXSID90630259,
SRXYTHWJEJQHCP-UHFFFAOYSA-N,
ZINC2519218,
MFCD03410699,
2-methoxy-4-(2-nitro-ethyl)-phenol,
AKOS006276385,
RL03954,
ACM528594301,
AJ-37111,
AS-35655,
AB0073548,
AX8252638,
CS-0036988,
A-2094,
J-509797,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number