| CAS Number | 4969-03-3 |
| Catalog Number | AG00D82H(AGN-PC-0S43ZJ) |
| Chemical Name | 2-(Piperidin-1-ylmethyl)acrylic acid |
| IUPAC Name | 2-(piperidin-1-ylmethyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H15NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h1-7H2,(H,11,12) |
| InChI Key | VSSPIZRPHCYIAT-UHFFFAOYSA-N |
| MDL Number | MFCD06208437 |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.2209 |
| SMILES | C=C(CN1CCCCC1)C(O)=O |
| Synonyms | 4969-03-3,
2-(Piperidin-1-ylmethyl)acrylic acid,
2-PIPERIDIN-1-YLMETHYL-ACRYLIC ACID,
2-[(Piperidin-1-yl)methyl]acrylic acid,
2-[(Piperidin-1-yl)methyl]prop-2-enoic acid,
SCHEMBL13719453,
CTK4J1551,
DTXSID60435233,
5108AH,
AB1575,
MFCD06208437,
ZINC34179577,
2-(Piperidin-1-yl)methylacrylic acid,
AKOS013434008,
AJ-87327,
2-(piperidin-1-ylmethyl)prop-2-enoic acid,
K-0074,
C9H15NO2,
CID10080785,
2-(1-piperidylmethyl)prop-2-enoic Acid,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.224g/mol |
| Monoisotopic Mass | 169.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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