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100636-39-3 | 5-Hexenoic acid, 3-oxo-, methyl ester
CAS No: 100636-39-3 Catalog No: AG0002JK MDL No:
Product Description
Catalog Number:
AG0002JK
Chemical Name:
5-Hexenoic acid, 3-oxo-, methyl ester
CAS Number:
100636-39-3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
methyl 3-oxohex-5-enoate
InChI:
InChI=1S/C7H10O3/c1-3-4-6(8)5-7(9)10-2/h3H,1,4-5H2,2H3
InChI Key:
RWTBUPAPBAYJBO-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CC=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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