| CAS Number | 32933-13-4 |
| Catalog Number | AG01B5FV(AGN-PC-0R8COB) |
| Chemical Name | 2-Methyl-3-(oxolan-2-yl)propanoic acid |
| IUPAC Name | 2-methyl-3-(oxolan-2-yl)propanoic acid |
| InChI | InChI=1S/C8H14O3/c1-6(8(9)10)5-7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10) |
| InChI Key | IHVOMWXXVTYVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD01082627 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | CC(C(O)=O)CC1OCCC1 |
| Synonyms | 2-methyl-3-(oxolan-2-yl)propanoic Acid,
32933-13-4,
SCHEMBL1716534,
AKOS011841107,
2-methyl-3-(tetrahydrofuryl)propionic acid,
alpha-Methyltetrahydrofuran-2-propionic acid,
2-methyl-3-tetrahydro-2-furanylpropanoic acid,
2-methyl-3-tetrahydro-furan-2-yl-propionic acid,
F8883-1440,
CID10931706,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
|
Packing Group
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\N
|
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Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number