Home Other Building Blocks Benzoic acid, 2-(acetyloxy)-4-methyl-

Benzoic acid, 2-(acetyloxy)-4-methyl-

CAS No.:
14504-07-5
Catalog Number:
AG001KIF
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG001KIF
Chemical Name:
Benzoic acid, 2-(acetyloxy)-4-methyl-
CAS Number:
14504-07-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD05664042
IUPAC Name:
2-acetyloxy-4-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-3-4-8(10(12)13)9(5-6)14-7(2)11/h3-5H,1-2H3,(H,12,13)
InChI Key:
TYAIGNOSODVIHJ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(C)ccc1C(=O)O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties