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94454-55-4 | Cyclopentanecarboxaldehyde, 1,2-dimethyl-5-(1-methylethenyl)-
CAS No: 94454-55-4 Catalog No: AG006B0L MDL No:
Product Description
Catalog Number:
AG006B0L
Chemical Name:
Cyclopentanecarboxaldehyde, 1,2-dimethyl-5-(1-methylethenyl)-
CAS Number:
94454-55-4
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
1,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(10,4)7-12/h7,9-10H,1,5-6H2,2-4H3
InChI Key:
PZAULCURUZGWAG-UHFFFAOYSA-N
SMILES:
O=CC1(C)C(C)CCC1C(=C)C
Properties
Complexity:
207
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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