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112339-62-5 | 3-Cyclohexene-1-carboxaldehyde, 3-hydroxy-5-oxo-4-(1-oxobutyl)-
CAS No: 112339-62-5 Catalog No: AG0082S0 MDL No:
Product Description
Catalog Number:
AG0082S0
Chemical Name:
3-Cyclohexene-1-carboxaldehyde, 3-hydroxy-5-oxo-4-(1-oxobutyl)-
CAS Number:
112339-62-5
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
4-(1-hydroxybutylidene)-3,5-dioxocyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H14O4/c1-2-3-8(13)11-9(14)4-7(6-12)5-10(11)15/h6-7,13H,2-5H2,1H3
InChI Key:
AITHFBZQJHNOLJ-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1=C(O)CC(CC1=O)C=O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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