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82372-64-3 | 1,4-Cyclohexadiene-1-carboxaldehyde, 4,5-dimethyl-
CAS No: 82372-64-3 Catalog No: AG005DNC MDL No:
Product Description
Catalog Number:
AG005DNC
Chemical Name:
1,4-Cyclohexadiene-1-carboxaldehyde, 4,5-dimethyl-
CAS Number:
82372-64-3
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
4,5-dimethylcyclohexa-1,4-diene-1-carbaldehyde
InChI:
InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h4,6H,3,5H2,1-2H3
InChI Key:
WMJFXQOLIMTQAB-UHFFFAOYSA-N
SMILES:
O=CC1=CCC(=C(C1)C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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