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81887-97-0 | Cyclopentanecarboxaldehyde, 4,4-dimethyl-2-oxo-
CAS No: 81887-97-0 Catalog No: AG005H0G MDL No:
Product Description
Catalog Number:
AG005H0G
Chemical Name:
Cyclopentanecarboxaldehyde, 4,4-dimethyl-2-oxo-
CAS Number:
81887-97-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
4,4-dimethyl-2-oxocyclopentane-1-carbaldehyde
InChI:
InChI=1S/C8H12O2/c1-8(2)3-6(5-9)7(10)4-8/h5-6H,3-4H2,1-2H3
InChI Key:
IZBXFBSOUJCVRF-UHFFFAOYSA-N
SMILES:
O=CC1CC(CC1=O)(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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