CAS
93963-47-4 Purity
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93963-47-4 Purity
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2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester
CAS
93963-69-0
Catalog Number
ACM93963690
Category
Other Products
Molecular Weight
234.29092
Molecular Formula
C14H18O3
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Specification
Synonyms
n-Butyl methyl phenylglycidate 1, EINECS 300-813-3, CID583239, Butyl 3-methyl-3-phenyloxirane-2-carboxylate, Oxiranecarboxylic acid, 3-methyl-3-phenyl-, butyl ester, 93963-69-0
IUPAC Name
butyl 3-methyl-3-phenyloxirane-2-carboxylate
SMILES
CCCCOC(=O)C1C(O1)(C)C2=CC=CC=C2
InChI Key
AWOJEIWMCLENLY-UHFFFAOYSA-N
Boiling Point
307.4ºC at 760mmHg
Flash Point
125.4ºC
Density
1.094g/cm³
EC Number
300-813-3
Exact Mass
234.12600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The molecular formula is C14H18O3.
What is the molecular weight of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The molecular weight is 234.29 g/mol.
What is the IUPAC name of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The IUPAC name is butyl 3-methyl-3-phenyloxirane-2-carboxylate.
What is the InChI of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The InChI is InChI=1S/C14H18O3/c1-3-4-10-16-13(15)12-14(2,17-12)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What is the InChIKey of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The InChIKey is AWOJEIWMCLENLY-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The canonical SMILES is CCCCOC(=O)C1C(O1)(C)C2=CC=CC=C2.
What is the CAS number of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The CAS number is 93963-69-0.
What is the European Community (EC) number of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The European Community (EC) number is 300-813-3.
What is the XLogP3-AA value of 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester?
The XLogP3-AA value is 2.8.
Is 2-Oxiranecarboxylicacid,3-methyl-3-phenyl-,butyl ester a canonicalized compound?
Yes, it is indicated that the compound is canonicalized.
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