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19146-57-7 | Crotonic-4,4,4-d3 acid, 2-methyl-, (E)- (8CI)
CAS No: 19146-57-7 Catalog No: AG002F8U MDL No:
Product Description
Catalog Number:
AG002F8U
Chemical Name:
Crotonic-4,4,4-d3 acid, 2-methyl-, (E)- (8CI)
CAS Number:
19146-57-7
Molecular Formula:
C5H5D3O2
Molecular Weight:
103.1343
IUPAC Name:
4,4,4-trideuterio-2-methylbut-2-enoic acid
InChI:
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/i1D3
InChI Key:
UIERETOOQGIECD-FIBGUPNXSA-N
SMILES:
C([2H])(/C=C(/C(=O)O)\C)([2H])[2H]
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.071g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
103.135g/mol
Monoisotopic Mass:
103.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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