(3E)-3-Heptenoic acid - CAS 28163-84-0
Catalog: |
BB053970 |
Product Name: |
(3E)-3-Heptenoic acid |
CAS: |
28163-84-0 |
Synonyms: |
(3E)-Hept-3-enoic acid; (E)-3-Heptenoic acid; 3-Heptenoic acid, (3E)- |
Related CAS: | 29901-85-7 (rac-isomer) 68676-74-4 (Z-isomer)
|
IUPAC Name: | (E)-hept-3-enoic acid |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCCC=CCC(=O)O |
InChI: | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+ |
InChI Key: | BCYXFRMDZWKZSF-SNAWJCMRSA-N |
Boiling Point: | 226.5±9.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.0±0.1 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 |
Signal Word: | Danger |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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