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88875-00-7 | 1,3-Cyclohexadiene-1-carboxaldehyde, 3,6-dimethyl-
CAS No: 88875-00-7 Catalog No: AG008AKP MDL No:
Product Description
Catalog Number:
AG008AKP
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 3,6-dimethyl-
CAS Number:
88875-00-7
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
3,6-dimethylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C9H12O/c1-7-3-4-8(2)9(5-7)6-10/h3,5-6,8H,4H2,1-2H3
InChI Key:
WMIMXKJQIJNOMB-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=CCC1C)C
Properties
Complexity:
199
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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