CAS
93843-06-2 Purity
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93843-06-2 Purity
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Neoundecanoic acid
CAS
93843-15-3
Catalog Number
ACM93843153
Category
Other Products
Molecular Weight
186.291180 [g/mol]
Molecular Formula
C11H22O2
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Specification
Synonyms
Neoundecanoic acid, Fatty acids, C9-13-neo-, EINECS 299-094-6, 68938-07-8, 93843-15-3
IUPAC Name
8,8-dimethylnonanoic acid
Canonical SMILES
CC(C)(C)CCCCCCC(=O)O
InChI Key
PCVAKFVNCSPYNN-UHFFFAOYSA-N
EC Number
299-094-6
Exact Mass
186.16200
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of Neoundecanoic acid?
The molecular formula of Neoundecanoic acid is C11H22O2.
What is the molecular weight of Neoundecanoic acid?
The molecular weight of Neoundecanoic acid is 186.29 g/mol.
What is the IUPAC name of Neoundecanoic acid?
The IUPAC name of Neoundecanoic acid is 8,8-dimethylnonanoic acid.
What is the InChIKey of Neoundecanoic acid?
The InChIKey of Neoundecanoic acid is PCVAKFVNCSPYNN-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Neoundecanoic acid?
The Canonical SMILES representation of Neoundecanoic acid is CC(C)(C)CCCCCCC(=O)O.
What is the CAS number for Neoundecanoic acid?
The CAS number for Neoundecanoic acid is 93843-15-3.
How many hydrogen bond donor counts does Neoundecanoic acid have?
Neoundecanoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of Neoundecanoic acid?
The topological polar surface area of Neoundecanoic acid is 37.3 Ų.
Does Neoundecanoic acid have any defined bond stereocenter counts?
Neoundecanoic acid does not have any defined bond stereocenter count.
Is Neoundecanoic acid a canonicalized compound?
Yes, Neoundecanoic acid is a canonicalized compound.
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