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62054-49-3 | Ethyl (2E)-3-methyl-4-oxobut-2-enoate
CAS No: 62054-49-3 Catalog No: AG0034UZ MDL No:MFCD00043412
Product Description
Catalog Number:
AG0034UZ
Chemical Name:
Ethyl (2E)-3-methyl-4-oxobut-2-enoate
CAS Number:
62054-49-3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD00043412
IUPAC Name:
ethyl (E)-3-methyl-4-oxobut-2-enoate
InChI:
InChI=1S/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+
InChI Key:
YLFXEUMFBVGYEL-GQCTYLIASA-N
SMILES:
C/C(=C\C(=O)OCC)/C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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