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40150-92-3

40150-92-3 | 1-[4-(2-methylpropyl)phenyl]ethanol

CAS No: 40150-92-3 Catalog No: AG0038QS MDL No:MFCD08275597

Product Description

Catalog Number:
AG0038QS
Chemical Name:
1-[4-(2-methylpropyl)phenyl]ethanol
CAS Number:
40150-92-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD08275597
IUPAC Name:
1-[4-(2-methylpropyl)phenyl]ethanol
InChI:
InChI=1S/C12H18O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10,13H,8H2,1-3H3
InChI Key:
VLVILBSSXMZZCB-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(O)C)C

Properties

Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Literature

Title Journal
Fulvic acid mediated photolysis of ibuprofen in water. Water research 20111001
Identification of degradation products of ibuprofen arising from oxidative and thermal treatments. Journal of pharmaceutical and biomedical analysis 20021015

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