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5497-67-6 | 2,2-Dimethyl-4-pentenal
CAS No: 5497-67-6 Catalog No: AG003FBI MDL No:MFCD00010699
Product Description
Catalog Number:
AG003FBI
Chemical Name:
2,2-Dimethyl-4-pentenal
CAS Number:
5497-67-6
MDL Number:
MFCD00010699
IUPAC Name:
2,2-dimethylpent-4-enal
InChI:
InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3
InChI Key:
DXSDIWHOOOBQTJ-UHFFFAOYSA-N
EC Number:
226-834-7
NSC Number:
14676
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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