| CAS Number | 390410-52-3 |
| Catalog Number | AG019XLR(AGN-PC-0NCAD8) |
| Chemical Name | 2-(but-3-yn-1-yloxy)benzaldehyde |
| IUPAC Name | 2-but-3-ynoxybenzaldehyde |
| InChI | InChI=1S/C11H10O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h1,4-7,9H,3,8H2 |
| InChI Key | FERKOHGNNVRORC-UHFFFAOYSA-N |
| MDL Number | MFCD11149405 |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.1959 |
| SMILES | O=CC1=C(OCCC#C)C=CC=C1 |
| Synonyms | 2-(but-3-yn-1-yloxy)benzaldehyde,
390410-52-3,
EN300-55346,
AC1Q6PRY,
2-(but-3-ynyloxy)benzaldehyde,
CTK1B4404,
DTXSID60447179,
Benzaldehyde, 2-(3-butynyloxy)-,
ZINC20030988,
AKOS000249069,
BBV-142653,
NE48693,
2-but-3-ynoxybenzaldehyde,
CID10888411,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.199g/mol |
| Monoisotopic Mass | 174.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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