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1935502-48-9 | 3-methyl-1-(prop-2-en-1-yl)cyclohexane-1-carbaldehyde
CAS No: 1935502-48-9 Catalog No: AG01BTST MDL No:
Product Description
Catalog Number:
AG01BTST
Chemical Name:
3-methyl-1-(prop-2-en-1-yl)cyclohexane-1-carbaldehyde
CAS Number:
1935502-48-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
3-methyl-1-prop-2-enylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-3-6-11(9-12)7-4-5-10(2)8-11/h3,9-10H,1,4-8H2,2H3
InChI Key:
SJOISEHSWMBROE-UHFFFAOYSA-N
SMILES:
C=CCC1(C=O)CCCC(C1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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