| CAS Number | 34596-36-6 |
| Catalog Number | AG00CLRQ(AGN-PC-00K5BB) |
| Chemical Name | 1,4-Bis(2-propynyloxy)benzene |
| IUPAC Name | 1,4-bis(prop-2-ynoxy)benzene |
| InChI | InChI=1S/C12H10O2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h1-2,5-8H,9-10H2 |
| InChI Key | ODCQCPUUPWRQKV-UHFFFAOYSA-N |
| MDL Number | MFCD00224313 |
| Molecular Formula | C12H10O2 |
| Molecular Weight | 186.2066 |
| SMILES | C#CCOC1=CC=C(OCC#C)C=C1 |
| Synonyms | 1,4-Bis(2-propynyloxy)benzene,
34596-36-6,
1,4-Bis(propargyloxy)benzene,
1,4-bis(prop-2-yn-1-yloxy)benzene,
SCHEMBL5704167,
ODCQCPUUPWRQKV-UHFFFAOYSA-,
ODCQCPUUPWRQKV-UHFFFAOYSA-N,
AC1Q2870,
ZINC4566816,
1,4-Bis(2-propyn-1-yloxy)benzene,
MFCD00224313,
AKOS024288028,
MCULE-3621109617,
B4607,
InChI=1/C12H10O2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h1-2,5-8H,9-10H2,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.21g/mol |
| Monoisotopic Mass | 186.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number