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204514-85-2 | 2-Cyclopenten-1-one, 4,5-dihydroxy-
CAS No: 204514-85-2 Catalog No: AG0029JX MDL No:
Product Description
Catalog Number:
AG0029JX
Chemical Name:
2-Cyclopenten-1-one, 4,5-dihydroxy-
CAS Number:
204514-85-2
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
IUPAC Name:
4,5-dihydroxycyclopent-2-en-1-one
InChI:
InChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-3,5-6,8H
InChI Key:
HLOLRONOOCGTRG-UHFFFAOYSA-N
SMILES:
OC1C=CC(=O)C1O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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