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85417-87-4 | DIMETHYL DECADIENAL
CAS No: 85417-87-4 Catalog No: AG004SWX MDL No:
Product Description
Catalog Number:
AG004SWX
Chemical Name:
DIMETHYL DECADIENAL
CAS Number:
85417-87-4
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
(2E,4E)-2,3-dimethyldeca-2,4-dienal
InChI:
InChI=1S/C12H20O/c1-4-5-6-7-8-9-11(2)12(3)10-13/h8-10H,4-7H2,1-3H3/b9-8+,12-11+
InChI Key:
HBAWYOZDYMBQRM-MVKOLZDDSA-N
SMILES:
CC(=C(C=O)C)C=CCCCCC
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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