Diethyl 2-Formylsuccinate - CAS 5472-38-8
Catalog: |
BB066436 |
Product Name: |
Diethyl 2-Formylsuccinate |
CAS: |
5472-38-8 |
Synonyms: |
diethyl 2-formylsuccinate; diethyl 2-formylbutanedioate; DIETHYL FORMYLSUCCINATE; 1,4-DIETHYL 2-FORMYLBUTANEDIOATE; Butanedioic acid, formyl-, diethyl ester; diethyl2-formylsuccinate |
IUPAC Name: | diethyl 2-formylbutanedioate |
Description: | DIETHYL 2-FORMYLSUCCINATE (cas# 5472-38-8) is a useful research chemical. |
Molecular Weight: | 202.2 |
Molecular Formula: | C9H14O5 |
Canonical SMILES: | CCOC(=O)CC(C=O)C(=O)OCC |
InChI: | InChI=1S/C9H14O5/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h6-7H,3-5H2,1-2H3 |
InChI Key: | LHHLYOVYBZWIGM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.08412354 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 69.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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