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Cas Database |
| Name |
(Z,Z)-3-Hexenyl 2-methyl-2-butenoate |
EINECS | 281-904-4 |
| CAS No. | 84060-80-0 | Density | 0.908 g/cm3 |
| PSA | 26.30000 | LogP | 2.85210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H18O2 | Boiling Point | 244.3 °C at 760 mmHg |
| Molecular Weight | 182.263 | Flash Point | 106.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
cis-3-Hexenyl angelate;[(E)-hex-3-enyl] (E)-2-methylbut-2-enoate;(E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester;2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (E,Z)-; |
Article Data | 2 |
(Z,Z)-3-Hexenyl 2-methyl-2-butenoate Specification
The (Z,Z)-3-Hexenyl 2-methyl-2-butenoate, also known as cis-3-Hexenyl angelate, is the organic compound with the formula C11H18O2. Its EINECS registry number is 281-904-4. With the CAS registry number 84060-80-0, its IUPAC name is [(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate.
Physical properties of (Z,Z)-3-Hexenyl 2-methyl-2-butenoate: (1)XLogP3-AA: 3.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 6; (5)Exact Mass: 182.13068; (6)MonoIsotopic Mass: 182.13068; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 13; (9)Formal Charge: 0; (10)Complexity: 202; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 2; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCCOC(=O)C(=CC)C
(2)Isomeric SMILES: CC/C=C\CCOC(=O)/C(=C\C)/C
(3)InChI: InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5-
(4)InChIKey: JNWQKXUWZWKUAY-BHHIIOOYSA-N
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