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666822-23-7 | Cyclopropanecarboxaldehyde, 2-heptyl-, (1S,2S)-
CAS No: 666822-23-7 Catalog No: AG006IYK MDL No:
Product Description
Catalog Number:
AG006IYK
Chemical Name:
Cyclopropanecarboxaldehyde, 2-heptyl-, (1S,2S)-
CAS Number:
666822-23-7
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
(1S,2S)-2-heptylcyclopropane-1-carbaldehyde
InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-10-8-11(10)9-12/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChI Key:
FXFABNAQQWCBRR-WDEREUQCSA-N
SMILES:
CCCCCCC[C@H]1C[C@@H]1C=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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