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113425-32-4 | 1-Butanone, 4-chloro-1-(2-hydroxy-4-methylphenyl)-
CAS No: 113425-32-4 Catalog No: AG0008J0 MDL No:
Product Description
Catalog Number:
AG0008J0
Chemical Name:
1-Butanone, 4-chloro-1-(2-hydroxy-4-methylphenyl)-
CAS Number:
113425-32-4
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
4-chloro-1-(2-hydroxy-4-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO2/c1-8-4-5-9(11(14)7-8)10(13)3-2-6-12/h4-5,7,14H,2-3,6H2,1H3
InChI Key:
WHIRHEWUVMQVMY-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)c1ccc(cc1O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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