| CAS Number | 52657-84-8 |
| Catalog Number | AG01B1RF(AGN-PC-0C4VDE) |
| Chemical Name | 3-(Benzyloxy)butan-1-ol |
| IUPAC Name | 3-phenylmethoxybutan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3 |
| InChI Key | SEINCOLPXCLPDL-UHFFFAOYSA-N |
| MDL Number | MFCD28012261 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC(OCC1=CC=CC=C1)CCO |
| Synonyms | 3-(Benzyloxy)butan-1-ol,
52657-84-8,
3-(Benzyloxy)-1-butanol,
1-Butanol, 3-(phenylmethoxy)-,
AC1LBPW0,
3-phenylmethoxybutan-1-ol,
3-(Benzyloxy)-1-butanol #,
SCHEMBL4519983,
CTK1G2314,
DTXSID50340165,
SEINCOLPXCLPDL-UHFFFAOYSA-N,
AKOS033602094,
MCULE-7616118994,
Z1824497759,
CID562210,
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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 |
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Certificate of Analysis
Lot Number