| CAS Number | 773130-43-1 |
| Catalog Number | AG005NQ1(AGN-PC-0WD0R6) |
| Chemical Name | (2E)-3-[4-(methoxycarbonyl)-2-nitrophenyl]prop-2-enoic acid |
| IUPAC Name | (E)-3-(4-methoxycarbonyl-2-nitrophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C11H9NO6/c1-18-11(15)8-3-2-7(4-5-10(13)14)9(6-8)12(16)17/h2-6H,1H3,(H,13,14)/b5-4+ |
| InChI Key | OBXIHACULRGOCJ-SNAWJCMRSA-N |
| MDL Number | MFCD06205491 |
| Molecular Formula | C11H9NO6 |
| Molecular Weight | 251.1923 |
| SMILES | COC(=O)c1ccc(c(c1)[N+](=O)[O-])/C=C/C(=O)O |
| Synonyms | (E)-3-(4-(methoxycarbonyl)-2-nitrophenyl)acrylic acid,
773130-43-1,
2076AC,
ZINC44201272,
AKOS015852128,
SC-13171,
AJ-109600,
AX8234030,
TC-063772,
(E)-3-(4-(methoxycarbonyl)-2-nitrophenyl)acrylic a,
(E)-3-(4-(METHOXYCARBONYL)-2-NITROPHENYLACRYLIC ACID,
C11H9NO6,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 251.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.194g/mol |
| Monoisotopic Mass | 251.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number