| CAS Number | 14447-01-9 |
| Catalog Number | AG001JMA(AGN-PC-0JSMEB) |
| Chemical Name | Benzyl propiolate |
| IUPAC Name | benzyl prop-2-ynoate |
| InChI | InChI=1S/C10H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h1,3-7H,8H2 |
| InChI Key | KCSLTHXLCZSZLB-UHFFFAOYSA-N |
| MDL Number | MFCD11976128 |
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.1693 |
| SMILES | C#CC(OCC1=CC=CC=C1)=O |
| Synonyms | Benzyl propiolate,
14447-01-9,
2-Propynoic acid, phenylmethyl ester,
KCSLTHXLCZSZLB-UHFFFAOYSA-N,
benzyl prop-2-ynoate,
AC1LBVJP,
SCHEMBL907611,
CTK0E9730,
DTXSID80337487,
2-Propynoic acid phenylmethyl ester,
MFCD11976128,
ZINC96125920,
AKOS027323020,
FCH1138459,
AS-30329,
OR315220,
SC-36441,
CID543064,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.172g/mol |
| Monoisotopic Mass | 160.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number