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63721-05-1 | Methyl 3,3-dimethylpent-4-enoate
CAS No: 63721-05-1 Catalog No: AG003RPZ MDL No:MFCD00075381
Product Description
Catalog Number:
AG003RPZ
Chemical Name:
Methyl 3,3-dimethylpent-4-enoate
CAS Number:
63721-05-1
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00075381
IUPAC Name:
methyl 3,3-dimethylpent-4-enoate
InChI:
InChI=1S/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3
InChI Key:
MKLKDUHMZCIBSJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C=C)(C)C
EC Number:
264-431-8
UNII:
4N16OY62SK
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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