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13954-12-6

13954-12-6 | 7-(hydroxymethyl)-2,5-dimethylquinolin-8-ol

CAS No: 13954-12-6 Catalog No: AG01BEU5 MDL No:MFCD24720888

Product Description

Catalog Number:
AG01BEU5
Chemical Name:
7-(hydroxymethyl)-2,5-dimethylquinolin-8-ol
CAS Number:
13954-12-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD24720888
IUPAC Name:
7-(hydroxymethyl)-2,5-dimethylquinolin-8-ol
InChI:
InChI=1S/C12H13NO2/c1-7-5-9(6-14)12(15)11-10(7)4-3-8(2)13-11/h3-5,14-15H,6H2,1-2H3
InChI Key:
GLJMYNQVVIIHKG-UHFFFAOYSA-N
SMILES:
OCc1cc(C)c2c(c1O)nc(cc2)C

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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