| CAS Number | 203505-82-2 |
| Catalog Number | AG0028X8(AGN-PC-0O7AZJ) |
| Chemical Name | (E)-3-(2-(Dimethylamino)pyrimidin-5-yl)acrylic acid |
| IUPAC Name | (E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoic acid |
| InChI | InChI=1S/C9H11N3O2/c1-12(2)9-10-5-7(6-11-9)3-4-8(13)14/h3-6H,1-2H3,(H,13,14)/b4-3+ |
| InChI Key | VZFHNNOWTJQTQD-ONEGZZNKSA-N |
| MDL Number | MFCD08059847 |
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.2025 |
| SMILES | C1(N(C)C)=NC=C(C=N1)/C=C/C(O)=O |
| Synonyms | 203505-82-2,
(2E)-3-[2-(Dimethylamino)pyrimidin-5-yl]acrylic acid,
ASISCHEM C63423,
ZINC8727619,
ZX-CM003778,
FCH830924,
MFCD08059847,
AKOS000283863,
FCH4674689,
ACM203505822,
AJ-58724,
BBV-49873034,
SC-38673,
Y-3421,
3-(2-(dimethylamino)pyrimidin-5-yl)acrylic acid,
(2E)-3-[2-(Dimethylamino)-5-pyrimidinyl]acrylic acid,
4011778-25G,
4011778-50G,
(2E)-3-[2-(Dimethylamino)pyrimidin-5-yl]acrylic acid, AldrichCPR,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 193.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.206g/mol |
| Monoisotopic Mass | 193.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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