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Home > Aldehydes > 113088-66-7
113088-66-7 | 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-
CAS No: 113088-66-7 Catalog No: AG0081LT MDL No:
Product Description
Catalog Number:
AG0081LT
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-
CAS Number:
113088-66-7
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
2-chloro-3-ethylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C9H11ClO/c1-2-7-4-3-5-8(6-11)9(7)10/h4,6H,2-3,5H2,1H3
InChI Key:
PRZWFMZFVPABLB-UHFFFAOYSA-N
SMILES:
CCC1=CCCC(=C1Cl)C=O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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