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116296-35-6 | Ethanone, 1-(3-chloro-4-hydroxy-5-methoxyphenyl)-
CAS No: 116296-35-6 Catalog No: AG000C5M MDL No:
Product Description
Catalog Number:
AG000C5M
Chemical Name:
Ethanone, 1-(3-chloro-4-hydroxy-5-methoxyphenyl)-
CAS Number:
116296-35-6
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9ClO3/c1-5(11)6-3-7(10)9(12)8(4-6)13-2/h3-4,12H,1-2H3
InChI Key:
UWYLEXOXSSAQDU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)Cl)C(=O)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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