| CAS Number | 69152-88-1 |
| Catalog Number | AG0036SE(AGN-PC-0OGPTI) |
| Chemical Name | (2E)-4-(benzyloxy)but-2-en-1-ol |
| IUPAC Name | 4-phenylmethoxybut-2-en-1-ol |
| InChI | InChI=1S/C11H14O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2 |
| InChI Key | CGLJRLXTVXHOLX-UHFFFAOYSA-N |
| MDL Number | MFCD00043122 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | OC/C=C/COCc1ccccc1 |
| Synonyms | 2-Buten-1-ol, 4-(phenylmethoxy)-, (E)-,
cis-4-Benzyloxy-2-buten-1-ol,
69152-88-1,
ACMC-20alf2,
4-benzyloxy-2-buten-1-ol,
4-phenylmethoxybut-2-en-1-ol,
AC1N62H8,
CTK1J1398,
CTK5E8399,
CGLJRLXTVXHOLX-UHFFFAOYSA-N,
MCULE-8879241120,
2-Buten-1-ol,4-(phenylmethoxy)-, (2Z)-,
(Z)-4-phenylmethoxybut-2-en-1-ol,
(Z)-4-(Benzyloxy)but-2-en-1-ol,
CID4228274,
81028-03-7,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number