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Home > Aldehydes > 1937343-25-3
1937343-25-3 | 1-(but-2-en-1-yl)-2-methylcyclohexane-1-carbaldehyde
CAS No: 1937343-25-3 Catalog No: AG01BTT5 MDL No:
Product Description
Catalog Number:
AG01BTT5
Chemical Name:
1-(but-2-en-1-yl)-2-methylcyclohexane-1-carbaldehyde
CAS Number:
1937343-25-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
1-but-2-enyl-2-methylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C12H20O/c1-3-4-8-12(10-13)9-6-5-7-11(12)2/h3-4,10-11H,5-9H2,1-2H3
InChI Key:
SKIPHHUAZOIADO-UHFFFAOYSA-N
SMILES:
CC=CCC1(C=O)CCCCC1C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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