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139262-19-4

139262-19-4 | 2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, 1-methylpropyl ester

CAS No: 139262-19-4 Catalog No: AG001ALK MDL No:

Product Description

Catalog Number:
AG001ALK
Chemical Name:
2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, 1-methylpropyl ester
CAS Number:
139262-19-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
butan-2-yl 3-(4-methoxyphenyl)oxirane-2-carboxylate
InChI:
InChI=1S/C14H18O4/c1-4-9(2)17-14(15)13-12(18-13)10-5-7-11(16-3)8-6-10/h5-9,12-13H,4H2,1-3H3
InChI Key:
RJGJIDHNJZRBEG-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C1OC1c1ccc(cc1)OC)C

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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