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5837-72-9 | FUMARALDEHYDIC ACID METHYL ESTER
CAS No: 5837-72-9 Catalog No: AG003QP1 MDL No:MFCD00191651
Product Description
Catalog Number:
AG003QP1
Chemical Name:
FUMARALDEHYDIC ACID METHYL ESTER
CAS Number:
5837-72-9
MDL Number:
MFCD00191651
IUPAC Name:
methyl (E)-4-oxobut-2-enoate
InChI:
InChI=1S/C5H6O3/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2+
InChI Key:
CRBJVPSOOMDSPT-NSCUHMNNSA-N
EC Number:
230-809-6
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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