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480-63-7

480-63-7 | 2,4,6-Trimethylbenzoic acid

CAS No: 480-63-7 Catalog No: AG0038PB MDL No:MFCD00002481

Product Description

Catalog Number:
AG0038PB
Chemical Name:
2,4,6-Trimethylbenzoic acid
CAS Number:
480-63-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00002481
IUPAC Name:
2,4,6-trimethylbenzoic acid
InChI:
InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChI Key:
FFFIRKXTFQCCKJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(cc1C)C
EC Number:
207-553-9
UNII:
4PU2HG6787

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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