CAS
97659-32-0 Purity
96%
97659-32-0 Purity
96%
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9,10-Dichloro-12-hydroxyoctadecanoic acid
CAS
97659-36-4
Catalog Number
ACM97659364
Category
Other Products
Molecular Weight
369.36676
Molecular Formula
C18H34Cl2O3
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Specification
Synonyms
EINECS 307-440-5, CID103035, 9,10-Dichloro-12-hydroxyoctadecanoic acid, 97659-36-4
IUPAC Name
9,10-dichloro-12-hydroxyoctadecanoic acid
Canonical SMILES
CCCCCCC(CC(C(CCCCCCCC(=O)O)Cl)Cl)O
InChI Key
AODBHFIRNOOMDL-UHFFFAOYSA-N
Boiling Point
502.7ºC at 760mmHg
Flash Point
257.8ºC
Density
1.081g/cm³
EC Number
307-440-5
Exact Mass
368.18900
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound 9,10-Dichloro-12-hydroxyoctadecanoic acid?
The molecular formula is C18H34Cl2O3.
When was the compound created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 9,10-dichloro-12-hydroxyoctadecanoic acid.
What is the molecular weight of the compound?
The molecular weight is 369.4 g/mol.
What is the InChIKey of the compound?
The InChIKey is AODBHFIRNOOMDL-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 6.3.
How many rotatable bond counts does the compound have?
The compound has 16 rotatable bond counts.
What is the exact mass and monoisotopic mass of the compound?
The exact mass and monoisotopic mass are both 368.1885003 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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