CAS
98253-99-7 Purity
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98253-99-7 Purity
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Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate
CAS
98258-72-1
Catalog Number
ACM98258721
Category
Other Products
Molecular Weight
266.29
Molecular Formula
C17H14O3
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Specification
Synonyms
METHYL 4-(3-OXO-3-PHENYL-1-PROPENYL) BENZOATE;METHYL 4-(3-OXO-3-PHENYLPROP-1-ENYL)BENZOATE;Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate, 98+% (NMR);METHYL 4-[(E)-3-OXO-3-PHENYL-PROP-1-ENYL]BENZOATE;METHYL 4-(3-OXO-3-PHENYL-1-PROPENYL) BENZOATE, 98+%
What is the molecular formula of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The molecular formula is C17H14O3.
What is the molecular weight of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The molecular weight is 266.29 g/mol.
What is the IUPAC name of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The IUPAC name is methyl 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoate.
What is the InChI of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The InChI is InChI=1S/C17H14O3/c1-20-17(19)15-10-7-13(8-11-15)9-12-16(18)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+.
What is the InChIKey of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The InChIKey is CADDVOXTZYEXKQ-FMIVXFBMSA-N.
What is the canonical SMILES of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The canonical SMILES is COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2.
What is the isomeric SMILES of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The isomeric SMILES is COC(=O)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2.
What is the XLogP3 value of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The XLogP3 value is 2.9.
What is the hydrogen bond donor count of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The hydrogen bond donor count is 0.
What is the rotatable bond count of Methyl 4-(3-oxo-3-phenyl-1-propenyl)benzoate?
The rotatable bond count is 5.
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