| CAS Number | 58287-80-2 |
| Catalog Number | AG00ELII(AGN-PC-02VLXF) |
| Chemical Name | 4-(Morpholine-4-carbonyl)-benzaldehyde |
| IUPAC Name | 4-(morpholine-4-carbonyl)benzaldehyde |
| InChI | InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2 |
| InChI Key | WVDVJQSVTBHGQL-UHFFFAOYSA-N |
| MDL Number | MFCD09758996 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | O=CC1=CC=C(C(N2CCOCC2)=O)C=C1 |
| Synonyms | 4-(MORPHOLINE-4-CARBONYL)BENZALDEHYDE,
58287-80-2,
4-(Morpholine-4-Carbonyl)-Benzaldehyde,
SCHEMBL1662915,
4-morpholinylcarbonylbenzaldehyde,
CTK1G8820,
DTXSID70608830,
WVDVJQSVTBHGQL-UHFFFAOYSA-N,
4-(Morpholinocarbonyl)benzaldehyde,
6043AE,
MFCD09758996,
ZINC39320504,
AKOS015995716,
4-(morpholin-4-ylcarbonyl)benzaldehyde,
4-[(morpholin-4-yl)carbonyl]benzaldehyde,
AS-43771,
FT-0708342,
A-8173,
A1-03516,
C12H13NO3,
4-(4-morpholinylcarbonyl)Benzaldehyde,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number