| CAS Number | 120703-45-9 |
| Catalog Number | AG0098QP(AGN-PC-028817) |
| Chemical Name | 4-Propanoylphenyl 2,2-dimethylpropanoate |
| IUPAC Name | (4-propanoylphenyl) 2,2-dimethylpropanoate |
| InChI | InChI=1S/C14H18O3/c1-5-12(15)10-6-8-11(9-7-10)17-13(16)14(2,3)4/h6-9H,5H2,1-4H3 |
| InChI Key | CZDYREYTQIPCTK-UHFFFAOYSA-N |
| MDL Number | MFCD01530702 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | CC(C)(C)C(OC1=CC=C(C(CC)=O)C=C1)=O |
| Synonyms | 4-propanoylphenyl 2,2-dimethylpropanoate,
120703-45-9,
DTXSID70598186,
ZINC5428356,
Pivalic acid 4-propanoylphenyl ester,
0988AD,
MFCD01530702,
AKOS002956734,
MCULE-4312486345,
SS-4410,
AK184368,
C14H18O3,
CS-O-14605,
4-Propanoylphenyl-2,2-dimethylpropanoate,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number