CAS
93942-27-9 Purity
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93942-27-9 Purity
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5-Hydroxypentyl 3-bromopropionate
CAS
93942-35-9
Catalog Number
ACM93942359
Category
Other Products
Molecular Weight
239.106900 [g/mol]
Molecular Formula
C8H15BrO3
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Specification
Synonyms
5-Hydroxypentyl 3-bromopropionate, EINECS 300-587-6, CID3023018, 93942-35-9
IUPAC Name
5-hydroxypentyl 3-bromopropanoate
Canonical SMILES
C(CCO)CCOC(=O)CCBr
InChI Key
MLCADUOZDASYJQ-UHFFFAOYSA-N
Boiling Point
293.5ºC at 760mmHg
Flash Point
131.3ºC
Density
1.368g/cm³
EC Number
300-587-6
Exact Mass
238.02000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 5-Hydroxypentyl 3-bromopropionate?
The molecular formula is C8H15BrO3.
When was 5-Hydroxypentyl 3-bromopropionate created and modified?
It was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of 5-Hydroxypentyl 3-bromopropionate?
The IUPAC name is 5-hydroxypentyl 3-bromopropanoate.
What is the InChIKey of 5-Hydroxypentyl 3-bromopropionate?
The InChIKey is MLCADUOZDASYJQ-UHFFFAOYSA-N.
What is the canonical SMILES of 5-Hydroxypentyl 3-bromopropionate?
The canonical SMILES is C(CCO)CCOC(=O)CCBr.
What is the CAS number of 5-Hydroxypentyl 3-bromopropionate?
The CAS number is 93942-35-9.
What is the molecular weight of 5-Hydroxypentyl 3-bromopropionate?
The molecular weight is 239.11 g/mol.
What is the XLogP3-AA value of 5-Hydroxypentyl 3-bromopropionate?
The XLogP3-AA value is 1.2.
How many hydrogen bond donor counts does 5-Hydroxypentyl 3-bromopropionate have?
It has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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