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88909-16-4 | 2-Pentenoic acid, 5-(5-methyl-2-furanyl)-, ethyl ester, (E)-
CAS No: 88909-16-4 Catalog No: AG00496T MDL No:
Product Description
Catalog Number:
AG00496T
Chemical Name:
2-Pentenoic acid, 5-(5-methyl-2-furanyl)-, ethyl ester, (E)-
CAS Number:
88909-16-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
ethyl 5-(5-methylfuran-2-yl)pent-2-enoate
InChI:
InChI=1S/C12H16O3/c1-3-14-12(13)7-5-4-6-11-9-8-10(2)15-11/h5,7-9H,3-4,6H2,1-2H3
InChI Key:
MPBFVOSMBQPGPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CCc1ccc(o1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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