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19656-95-2

19656-95-2 | 2-Cyclohexene-1-acetaldehyde

CAS No: 19656-95-2 Catalog No: AG007R4B MDL No:

Product Description

Catalog Number:
AG007R4B
Chemical Name:
2-Cyclohexene-1-acetaldehyde
CAS Number:
19656-95-2
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-cyclohex-2-en-1-ylacetaldehyde
InChI:
InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2
InChI Key:
NHIXWDCCYHGFMD-UHFFFAOYSA-N
SMILES:
C(C1CCCC=C1)C=O

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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