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Home > Aldehydes > 1937221-59-4
1937221-59-4 | 1-(but-2-en-1-yl)-2-methylcyclopentane-1-carbaldehyde
CAS No: 1937221-59-4 Catalog No: AG01BTT8 MDL No:
Product Description
Catalog Number:
AG01BTT8
Chemical Name:
1-(but-2-en-1-yl)-2-methylcyclopentane-1-carbaldehyde
CAS Number:
1937221-59-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
1-but-2-enyl-2-methylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-3-4-7-11(9-12)8-5-6-10(11)2/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
XNNQGVHKCYIZEA-UHFFFAOYSA-N
SMILES:
CC=CCC1(C=O)CCCC1C
Properties
Complexity:
183
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:
1
XLogP3:
2.9
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