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13102-87-9 | 1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-
CAS No: 13102-87-9 Catalog No: AG000VCN MDL No:
Product Description
Catalog Number:
AG000VCN
Chemical Name:
1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-
CAS Number:
13102-87-9
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
3-chloro-1-(2-hydroxy-5-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11ClO2/c1-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6,12H,4-5H2,1H3
InChI Key:
CRCFRUFQZJAZEA-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)CCCl)c(cc1)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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