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2018-74-8 | 2-Hexenoic acid, 6-oxo-, methyl ester, (2E)-
CAS No: 2018-74-8 Catalog No: AG0027UN MDL No:
Product Description
Catalog Number:
AG0027UN
Chemical Name:
2-Hexenoic acid, 6-oxo-, methyl ester, (2E)-
CAS Number:
2018-74-8
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
methyl 6-oxohex-2-enoate
InChI:
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6-8/h3,5-6H,2,4H2,1H3
InChI Key:
VIPCJSCBXJTMQM-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCC=O
Properties
Complexity:
138
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:
1
XLogP3:
0.3
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