alpha-Formylbenzeneacetic Acid Methyl Ester - CAS 5894-79-1
Catalog: |
BB030213 |
Product Name: |
alpha-Formylbenzeneacetic Acid Methyl Ester |
CAS: |
5894-79-1 |
Synonyms: |
3-oxo-2-phenylpropanoic acid methyl ester; methyl 3-oxo-2-phenylpropanoate |
IUPAC Name: | methyl 3-oxo-2-phenylpropanoate |
Description: | alpha-Formylbenzeneacetic Acid Methyl Ester (CAS# 5894-79-1 ) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | COC(=O)C(C=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3 |
InChI Key: | ORJFSDFCHJQCOH-UHFFFAOYSA-N |
Boiling Point: | 262.3 °C at 760 mmHg |
Density: | 1.136 g/cm3 |
LogP: | 1.14210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321648-A | Synthetic method of atropine sulfate | 20210521 |
CN-106045988-A | Preparation method for atropine sulfate | 20160813 |
CN-106045988-B | A kind of preparation method of atropine sulfate | 20160813 |
KR-20190038864-A | Ceramic Green Sheet and Coating Sheet | 20160728 |
CN-105985241-A | Inhibition effect of [alpha]-substituted phenyl acetate compounds on [alpha]-glycosidase and application of the compounds | 20150127 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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