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3724-55-8 | Methyl 3-butenoate
CAS No: 3724-55-8 Catalog No: AG00356R MDL No:MFCD00082587
Product Description
Catalog Number:
AG00356R
Chemical Name:
Methyl 3-butenoate
CAS Number:
3724-55-8
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00082587
IUPAC Name:
methyl but-3-enoate
InChI:
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
InChI Key:
GITITJADGZYSRL-UHFFFAOYSA-N
SMILES:
COC(=O)CC=C
EC Number:
223-076-9
NSC Number:
250983
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis of the pro-gly dipeptide alkene isostere using olefin cross-metathesis. | The Journal of organic chemistry 20020823 |
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