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trans-Methyl crotonate

CAS No.:
623-43-8
Catalog Number:
AG00370A
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
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Product Description
Catalog Number:
AG00370A
Chemical Name:
trans-Methyl crotonate
CAS Number:
623-43-8
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00009287
IUPAC Name:
methyl (E)-but-2-enoate
InChI:
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
InChI Key:
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
SMILES:
C/C=C/C(=O)OC
UNII:
3T02JIH93S
Properties
Complexity:
84.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Screening for new compounds with antiherpes activity. Antiviral research 19841001
Properties