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19019-21-7 | 1-Butanone, 1-(2-hydroxyphenyl)-3-methyl-
CAS No: 19019-21-7 Catalog No: AG002EEF MDL No:
Product Description
Catalog Number:
AG002EEF
Chemical Name:
1-Butanone, 1-(2-hydroxyphenyl)-3-methyl-
CAS Number:
19019-21-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
1-(2-hydroxyphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H14O2/c1-8(2)7-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChI Key:
HLWSQLFDQRUYCA-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccccc1O)C
NSC Number:
115702
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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