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94247-00-4

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Basic Information
CAS No.: 94247-00-4
Name: isononyl palmitate
Molecular Structure:
Molecular Structure of 94247-00-4 (isononyl palmitate)
Formula: C25H50O2
Molecular Weight: 382.6633
Synonyms: Isononyl palmitate;
EINECS: 304-175-7
PSA: 26.30000
LogP: 8.61740
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Specification

The Hexadecanoic acid, isononyl ester(9CI), with the CAS registry number 94247-00-4, is also known as Isononyl palmitate. Its EINECS registry number is 304-175-7. This chemical's molecular formula is C25H50O2 and molecular weight is 382.6633. Its IUPAC name is called 7-methyloctyl hexadecanoate.

Physical properties of Hexadecanoic acid, isononyl ester(9CI): (1)XLogP3-AA: 11.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 22; (5)Exact Mass: 382.381081; (6)MonoIsotopic Mass: 382.381081; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 27; (9)Formal Charge: 0; (10)Complexity: 299; (11)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C
(2)InChI: InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-20-17-16-18-21-24(2)3/h24H,4-23H2,1-3H3
(3)InChIKey: UBGYURICIGUKHC-UHFFFAOYSA-N