| CAS Number | 132437-90-2 |
| Catalog Number | AG00808D(AGN-PC-0PJQ63) |
| Chemical Name | Butanoic acid,3-methyl-4-(phenylmethoxy)- |
| IUPAC Name | 3-methyl-4-phenylmethoxybutanoic acid |
| InChI | InChI=1S/C12H16O3/c1-10(7-12(13)14)8-15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14) |
| InChI Key | UGBWZCMPGYFVDL-UHFFFAOYSA-N |
| MDL Number | MFCD01075210 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | O=C(O)CC(C)COCC1=CC=CC=C1 |
| Synonyms | 4-(Benzyloxy)-3-methylbutanoic acid,
132437-90-2,
4-benzyloxy-3-methylbutyric acid,
Butanoic acid,3-methyl-4-(phenylmethoxy)-,
3-methyl-4-phenylmethoxybutanoic acid,
ACMC-20muig,
3-methyl-4-phenylmethoxy-butanoic Acid,
AC1MC3G4,
SCHEMBL4433529,
CTK4B7914,
DTXSID20370752,
MFCD01075210,
AKOS015908773,
PS-11278,
(RS)-4-(Benzyloxy)-3-methylbutanoic acid,
DB-042114,
FT-0643177,
A806436,
I14-34595,
CID2735498,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number