| CAS Number | 4799-69-3 |
| Catalog Number | AG00DOFD(AGN-PC-09T03L) |
| Chemical Name | 4-(Benzyloxy)-2-butanol |
| IUPAC Name | 4-phenylmethoxybutan-2-ol |
| InChI | InChI=1S/C11H16O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3 |
| InChI Key | PPVYBGKNKMMISH-UHFFFAOYSA-N |
| MDL Number | MFCD16102023 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC(O)CCOCC1=CC=CC=C1 |
| Synonyms | 2-Butanol, 4-(phenylmethoxy)-,
4-(Benzyloxy)butan-2-ol,
4799-69-3,
4-Benzyloxy-2-butanol,
2-Butanol, 4-(benzyloxy)-,
4-phenylmethoxybutan-2-ol,
AC1LBPW3,
4-(Benzyloxy)-2-butanol,
4-(Benzyloxy)-2-butanol #,
SCHEMBL4781157,
CTK1D1383,
DTXSID10340166,
PPVYBGKNKMMISH-UHFFFAOYSA-N,
AKOS011041958,
CID562211,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number