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83840-90-8 | 2-Cyclopenten-1-one, 2,3-dihydroxy-4-methylene-
CAS No: 83840-90-8 Catalog No: AG0054TJ MDL No:
Product Description
Catalog Number:
AG0054TJ
Chemical Name:
2-Cyclopenten-1-one, 2,3-dihydroxy-4-methylene-
CAS Number:
83840-90-8
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
IUPAC Name:
2,3-dihydroxy-4-methylidenecyclopent-2-en-1-one
InChI:
InChI=1S/C6H6O3/c1-3-2-4(7)6(9)5(3)8/h8-9H,1-2H2
InChI Key:
NNCQFFKUDONSBM-UHFFFAOYSA-N
SMILES:
C=C1CC(=O)C(=C1O)O
Properties
Complexity:
212
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:
2
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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