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24480-99-7 | 3-Cyclohexene-1-acetaldehyde
CAS No: 24480-99-7 Catalog No: AG002OAT MDL No:
Product Description
Catalog Number:
AG002OAT
Chemical Name:
3-Cyclohexene-1-acetaldehyde
CAS Number:
24480-99-7
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-cyclohex-3-en-1-ylacetaldehyde
InChI:
InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2
InChI Key:
UPVGDGITFOERJA-UHFFFAOYSA-N
SMILES:
O=CCC1CCC=CC1
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:
1.6
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