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15783-02-5 | Cyclopentanecarboxaldehyde, 2,5-dioxo-
CAS No: 15783-02-5 Catalog No: AG001PQQ MDL No:
Product Description
Catalog Number:
AG001PQQ
Chemical Name:
Cyclopentanecarboxaldehyde, 2,5-dioxo-
CAS Number:
15783-02-5
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
IUPAC Name:
2,5-dioxocyclopentane-1-carbaldehyde
InChI:
InChI=1S/C6H6O3/c7-3-4-5(8)1-2-6(4)9/h3-4H,1-2H2
InChI Key:
UKOCRARRKGSVNO-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)CCC1=O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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