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96184-81-5 | 4-Oxocyclohexanecarbaldehyde
CAS No: 96184-81-5 Catalog No: AG003A9F MDL No:MFCD04972553
Product Description
Catalog Number:
AG003A9F
Chemical Name:
4-Oxocyclohexanecarbaldehyde
CAS Number:
96184-81-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD04972553
IUPAC Name:
4-oxocyclohexane-1-carbaldehyde
InChI:
InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
InChI Key:
SFNKUFOBKQJUEB-UHFFFAOYSA-N
SMILES:
O=CC1CCC(=O)CC1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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