| CAS Number | 6052-66-0 |
| Catalog Number | AG00EN3R(AGN-PC-0SWHPF) |
| Chemical Name | 1-phenylbut-3-en-2-ol |
| IUPAC Name | 1-phenylbut-3-en-2-ol |
| InChI | InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,10-11H,1,8H2 |
| InChI Key | UABPTAJNCGKQHF-UHFFFAOYSA-N |
| MDL Number | MFCD21232170 |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.2017 |
| SMILES | OC(C=C)CC1=CC=CC=C1 |
| Synonyms | 1-phenylbut-3-en-2-ol,
1-phenyl-3-buten-2-ol,
6052-66-0,
phenyl-3 buten-2-ol,
alpha-Ethenylbenzenethanol,
alpha-Ethenylbenzeneethanol,
1-Phenyl-3-butene-2-ol,
AC1L5HQ9,
1-phenyl-but-3-en-2-ol,
SCHEMBL1444462,
CTK5J3230,
UABPTAJNCGKQHF-UHFFFAOYSA-N,
AKOS014754451,
CID250464,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.205g/mol |
| Monoisotopic Mass | 148.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number