| CAS Number | 57371-44-5 |
| Catalog Number | AG00ELPM(AGN-PC-001M5E) |
| Chemical Name | 3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol |
| IUPAC Name | 3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-ol |
| InChI | InChI=1S/C17H20O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3 |
| InChI Key | VEJWDVSLFQNNAN-UHFFFAOYSA-N |
| MDL Number | MFCD09926773 |
| Molecular Formula | C17H20O3 |
| Molecular Weight | 272.3389 |
| SMILES | COC1=CC(CCCO)=CC=C1OCC1=CC=CC=C1 |
| Synonyms | 3-(4-(Benzyloxy)-3-methoxyphenyl)propan-1-ol,
57371-44-5,
AK148150,
3-[4-(Benzyloxy)-3-methoxyphenyl]propan-1-ol,
SCHEMBL5758661,
CTK1E1061,
DTXSID40561246,
VEJWDVSLFQNNAN-UHFFFAOYSA-N,
KS-00000S5W,
MFCD09926773,
ZINC34309831,
AKOS022188083,
DS-8878,
3-(4-benzyloxy-3-methoxyphenyl)propanol,
AJ-87923,
AX8285514,
ST24041447,
3-[3-Methoxy-4-(benzyloxy)phenyl]-1-propanol,
Benzenepropanol, 3-methoxy-4-(phenylmethoxy)-,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.344g/mol |
| Monoisotopic Mass | 272.141g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number