CAS
94202-11-6 Purity
96%
94202-11-6 Purity
96%
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4-(3-Oxobutyl)phenyl valerate
CAS
94202-15-0
Catalog Number
ACM94202150
Category
Other Products
Molecular Weight
248.317500 [g/mol]
Molecular Formula
C15H20O3
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Specification
Synonyms
4-(3-Oxobutyl)phenyl valerate, EINECS 303-708-0, CID3024018, 94202-15-0
IUPAC Name
[4-(3-oxobutyl)phenyl] pentanoate
Canonical SMILES
CCCCC(=O)OC1=CC=C(C=C1)CCC(=O)C
InChI Key
VULZZNWKMGTYEE-UHFFFAOYSA-N
Boiling Point
355ºC at 760mmHg
Flash Point
154.1ºC
Density
1.036g/cm³
EC Number
303-708-0
Exact Mass
248.14100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-(3-Oxobutyl)phenyl valerate?
The molecular formula is C15H20O3.
What is the molecular weight of 4-(3-Oxobutyl)phenyl valerate?
The molecular weight is 248.32 g/mol.
What is the IUPAC name of 4-(3-Oxobutyl)phenyl valerate?
The IUPAC name is [4-(3-oxobutyl)phenyl] pentanoate.
What is the InChIKey of 4-(3-Oxobutyl)phenyl valerate?
The InChIKey is VULZZNWKMGTYEE-UHFFFAOYSA-N.
What is the Canonical SMILES for 4-(3-Oxobutyl)phenyl valerate?
The Canonical SMILES is CCCCC(=O)OC1=CC=C(C=C1)CCC(=O)C.
What is the CAS number for 4-(3-Oxobutyl)phenyl valerate?
The CAS number is 94202-15-0.
What is the XLogP3-AA value for 4-(3-Oxobutyl)phenyl valerate?
The XLogP3-AA value is 3.
How many hydrogen bond acceptor counts does 4-(3-Oxobutyl)phenyl valerate have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-(3-Oxobutyl)phenyl valerate?
The topological polar surface area is 43.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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