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141038-31-5 | 1-Pentanone, 3-hydroxy-2,2,4-trimethyl-1-(2-methylphenyl)-
CAS No: 141038-31-5 Catalog No: AG001FSM MDL No:
Product Description
Catalog Number:
AG001FSM
Chemical Name:
1-Pentanone, 3-hydroxy-2,2,4-trimethyl-1-(2-methylphenyl)-
CAS Number:
141038-31-5
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
3-hydroxy-2,2,4-trimethyl-1-(2-methylphenyl)pentan-1-one
InChI:
InChI=1S/C15H22O2/c1-10(2)13(16)15(4,5)14(17)12-9-7-6-8-11(12)3/h6-10,13,16H,1-5H3
InChI Key:
MQZMZSGYPMIBKK-UHFFFAOYSA-N
SMILES:
CC(C(C(C(=O)c1ccccc1C)(C)C)O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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