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89402-20-0 | Cyclohexanecarboxaldehyde, 4-methylene-
CAS No: 89402-20-0 Catalog No: AG004NE4 MDL No:
Product Description
Catalog Number:
AG004NE4
Chemical Name:
Cyclohexanecarboxaldehyde, 4-methylene-
CAS Number:
89402-20-0
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
4-methylidenecyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h6,8H,1-5H2
InChI Key:
XJUSTHZLZCLFJZ-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=C)CC1
Properties
Complexity:
117
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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