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14894-74-7

14894-74-7 | Benzene, 1,2,4-trimethoxy-5-methyl-

CAS No: 14894-74-7 Catalog No: AG001LAY MDL No:

Product Description

Catalog Number:
AG001LAY
Chemical Name:
Benzene, 1,2,4-trimethoxy-5-methyl-
CAS Number:
14894-74-7
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
1,2,4-trimethoxy-5-methylbenzene
InChI:
InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3
InChI Key:
UUJBBNSZJILFNT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1OC)C

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
(E)-2-[4-tert-Butyl-5-(2,4,5-trimethoxy-benz-yl)thia-zol-2-ylimino-meth-yl]phenol. Acta crystallographica. Section E, Structure reports online 20080101

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