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85099-34-9 | alpha,beta,4-Trimethylcyclohexanepropionaldehyde
CAS No: 85099-34-9 Catalog No: AG004OJC MDL No:
Product Description
Catalog Number:
AG004OJC
Chemical Name:
alpha,beta,4-Trimethylcyclohexanepropionaldehyde
CAS Number:
85099-34-9
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
2-methyl-3-(4-methylcyclohexyl)butanal
InChI:
InChI=1S/C12H22O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h8-12H,4-7H2,1-3H3
InChI Key:
MJRWVWFGCVLPOV-UHFFFAOYSA-N
SMILES:
O=CC(C(C1CCC(CC1)C)C)C
EC Number:
285-490-6
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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