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88207-73-2 | 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-5-methyl-
CAS No: 88207-73-2 Catalog No: AG004DW6 MDL No:
Product Description
Catalog Number:
AG004DW6
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-chloro-3-hydroxy-5-methyl-
CAS Number:
88207-73-2
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
IUPAC Name:
2-chloro-3-hydroxy-5-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H5ClO3/c1-3-2-4(9)5(8)7(11)6(3)10/h2,11H,1H3
InChI Key:
KCIDZLUQIFKRNO-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(=O)C(=C1Cl)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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