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832688-89-8 | 5-Decynedial, 2,9-bis(methylene)-
CAS No: 832688-89-8 Catalog No: AG0057H8 MDL No:
Product Description
Catalog Number:
AG0057H8
Chemical Name:
5-Decynedial, 2,9-bis(methylene)-
CAS Number:
832688-89-8
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2,9-dimethylidenedec-5-ynedial
InChI:
InChI=1S/C12H14O2/c1-11(9-13)7-5-3-4-6-8-12(2)10-14/h9-10H,1-2,5-8H2
InChI Key:
ARGDAVAJLLIXFM-UHFFFAOYSA-N
SMILES:
O=CC(=C)CCC#CCCC(=C)C=O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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