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818-57-5 | Methyl 4-pentenoate
CAS No: 818-57-5 Catalog No: AG003RW6 MDL No:MFCD03990590
Product Description
Catalog Number:
AG003RW6
Chemical Name:
Methyl 4-pentenoate
CAS Number:
818-57-5
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD03990590
IUPAC Name:
methyl pent-4-enoate
InChI:
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3
InChI Key:
SHCSFZHSNSGTOP-UHFFFAOYSA-N
SMILES:
COC(=O)CCC=C
UNII:
G48IPZ8O71
FEMA Number:
4353
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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