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931-96-4 | 3-Cyclohexene-1-carboxaldehyde, 1-methyl-
CAS No: 931-96-4 Catalog No: AG0065CX MDL No:
Product Description
Catalog Number:
AG0065CX
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 1-methyl-
CAS Number:
931-96-4
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-methylcyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C8H12O/c1-8(7-9)5-3-2-4-6-8/h2-3,7H,4-6H2,1H3
InChI Key:
HXKVDJIESURQMK-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCC=CC1
Properties
Complexity:
138
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:
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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