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136513-98-9 | 2H-1-Benzopyran-3-ol, 6-chloro-3,4-dihydro-
CAS No: 136513-98-9 Catalog No: AG0011XJ MDL No:
Product Description
Catalog Number:
AG0011XJ
Chemical Name:
2H-1-Benzopyran-3-ol, 6-chloro-3,4-dihydro-
CAS Number:
136513-98-9
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
IUPAC Name:
6-chloro-3,4-dihydro-2H-chromen-3-ol
InChI:
InChI=1S/C9H9ClO2/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8,11H,4-5H2
InChI Key:
ZQBMGHPJPAEEHF-UHFFFAOYSA-N
SMILES:
OC1Cc2cc(Cl)ccc2OC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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