Home Carboxys benzyl2-methyl-4,5-dihydrofuran-3-carboxylate

benzyl2-methyl-4,5-dihydrofuran-3-carboxylate

CAS No.:
933770-60-6
Catalog Number:
AG01DUU4
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
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Product Description
Catalog Number:
AG01DUU4
Chemical Name:
benzyl2-methyl-4,5-dihydrofuran-3-carboxylate
CAS Number:
933770-60-6
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD31802372
IUPAC Name:
benzyl 5-methyl-2,3-dihydrofuran-4-carboxylate
InChI:
InChI=1S/C13H14O3/c1-10-12(7-8-15-10)13(14)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChI Key:
IKNWCXXCIKUCDM-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C)OCC1)OCc1ccccc1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties