CAS
96185-13-6 Purity
96%
96185-13-6 Purity
96%
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1-(4-sec-Butylphenyl)propan-1-one
CAS
96187-76-7
Catalog Number
ACM96187767
Category
Other Products
Molecular Weight
190.2842
Molecular Formula
C13H18O
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Specification
Synonyms
MolPort-001-509-358, STK425766, ALBB-002894, 1-(4-sec-butylphenyl)propan-1-one, 1-(4-butan-2-ylphenyl)propan-1-one, CID3773436, 1-[4-(butan-2-yl)phenyl]propan-1-one, 96187-76-7
IUPAC Name
1-(4-butan-2-ylphenyl)propan-1-one
InChI Key
VWABVQRCRFXTAT-UHFFFAOYSA-N
Boiling Point
289.5ºC at 760 mmHg
Flash Point
118.8ºC
Density
0.932g/cm³
Exact Mass
190.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound 1-(4-sec-Butylphenyl)propan-1-one?
The molecular formula is C13H18O.
What is the molecular weight of 1-(4-sec-Butylphenyl)propan-1-one?
The molecular weight is 190.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(4-butan-2-ylphenyl)propan-1-one.
What is the InChI of 1-(4-sec-Butylphenyl)propan-1-one?
InChI=1S/C13H18O/c1-4-10(3)11-6-8-12(9-7-11)13(14)5-2/h6-10H,4-5H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is VWABVQRCRFXTAT-UHFFFAOYSA-N.
What is the canonical SMILES of 1-(4-sec-Butylphenyl)propan-1-one?
The canonical SMILES is CCC(C)C1=CC=C(C=C1)C(=O)CC.
What is the CAS number of the compound?
The CAS number is 96187-76-7.
What is the XLogP3 value of the compound?
The XLogP3 value is 3.6.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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