CAS
94246-84-1 Purity
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94246-84-1 Purity
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Hexadecanoic acid,isononyl ester(9ci)
CAS
94247-00-4
Catalog Number
ACM94247004
Category
Other Products
Molecular Weight
382.6633
Molecular Formula
C25H50O2
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Specification
Synonyms
Isononyl palmitate, EINECS 304-175-7, 94247-00-4
IUPAC Name
7-methyloctyl hexadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C
InChI Key
UBGYURICIGUKHC-UHFFFAOYSA-N
EC Number
304-175-7
Exact Mass
382.38100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Hexadecanoic acid, isononyl ester(9ci)?
The molecular formula is C25H50O2.
When was the compound created and modified?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of Hexadecanoic acid, isononyl ester(9ci)?
The IUPAC name is 7-methyloctyl hexadecanoate.
What is the InChI for Hexadecanoic acid, isononyl ester(9ci)?
The InChI is 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.
How many hydrogen bond acceptors does the compound have?
It has 2 hydrogen bond acceptors.
What is the exact mass of Hexadecanoic acid, isononyl ester(9ci)?
The exact mass is 382.381080833 g/mol.
How many rotatable bonds does the compound have?
It has 22 rotatable bonds.
What is the XLogP3-AA value for Hexadecanoic acid, isononyl ester(9ci)?
The XLogP3-AA value is 11.1.
Is the compound's covalently-bonded unit count equal to 1?
Yes, the covalently-bonded unit count is 1.
How many heavy atoms are present in Hexadecanoic acid, isononyl ester(9ci)?
There are 27 heavy atoms in the compound.
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