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927636-54-2

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Basic Information
CAS No.: 927636-54-2
Name: n - butyl (E) - 7,9 - decadienoate
Molecular Structure:
Molecular Structure of 927636-54-2 (n - butyl (E) - 7,9 - decadienoate)
Formula: C14H24O2
Molecular Weight: 224.33916
Synonyms: n-Butyl (E)-7,9-decadienoate;
Density: 0.890±0.06 g/cm3(Predicted)
Boiling Point: 295.7±19.0 °C(Predicted)
PSA: 26.30000
LogP: 4.02240
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  • 7,9-Decadienoic acid, butyl ester

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    927636-54-2

    7,9-Decadienoic acid, butyl ester

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    laboratory Application:Synthetic building block

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  • n-Butyl (E)-7,9-decadienoate

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    927636-54-2

    n-Butyl (E)-7,9-decadienoate

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Specification

The 7,9-Decadienoicacid, butyl ester, with the CAS registry number 927636-54-2, is also known as n-Butyl (E)-7,9-decadienoate. This chemical's molecular formula is C14H24O2 and molecular weight is 224.33916. Its IUPAC name is called butyl (7E)-deca-7,9-dienoate.

Physical properties of 7,9-Decadienoicacid, butyl ester: (1)XLogP3-AA: 4.5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 11; (5)Exact Mass: 224.17763; (6)MonoIsotopic Mass: 224.17763; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 16; (9)Formal Charge: 0; (10)Complexity: 207; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 1; (13)Feature 3D Hydrophobe Count: 4; (14)Effective Rotor Count: 11; (15)Conformer Sampling RMSD: 1.2; (16)CID Conformer Count: 60.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)CCCCCC=CC=C
(2)Isomeric SMILES: CCCCOC(=O)CCCCC/C=C/C=C
(3)InChI: InChI=1S/C14H24O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3,5,7H,1,4,6,8-13H2,2H3/b7-5+
(4)InChIKey: IAJMFWMUVKHKLG-FNORWQNLSA-N