| CAS Number | 67372-96-7 |
| Catalog Number | AG006HRR(AGN-PC-0MZZJU) |
| Chemical Name | Benzaldehyde, 2-hydroxy-3-(1-methylethyl)- |
| IUPAC Name | 2-hydroxy-3-propan-2-ylbenzaldehyde |
| InChI | InChI=1S/C10H12O2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h3-7,12H,1-2H3 |
| InChI Key | ORJQGHNTYRXBJF-UHFFFAOYSA-N |
| MDL Number | MFCD11040457 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | O=CC1=CC=CC(C(C)C)=C1O |
| Synonyms | 2-hydroxy-3-isopropylbenzaldehyde,
67372-96-7,
Benzaldehyde, 2-hydroxy-3-(1-methylethyl)-,
SCHEMBL310825,
CTK1J3559,
DTXSID80436308,
ORJQGHNTYRXBJF-UHFFFAOYSA-N,
2-hydroxy-3-propan-2-ylbenzaldehyde,
MFCD11040457,
ZINC34370948,
AKOS006307302,
MB09057,
BP-20513,
Y2360,
2-HYDROXY-3-(PROPAN-2-YL)BENZALDEHYDE,
C10H12O2,
2-hydroxy-3-propan-2-yl-benzaldehyde,
CID10171264,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number