Home Other Building Blocks 2-Methoxy-4,5-dimethylbenzoic acid

2-Methoxy-4,5-dimethylbenzoic acid

CAS No.:
91061-36-8
Catalog Number:
AG0036T1
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG0036T1
Chemical Name:
2-Methoxy-4,5-dimethylbenzoic acid
CAS Number:
91061-36-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD14538071
IUPAC Name:
2-methoxy-4,5-dimethylbenzoic acid
InChI:
InChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChI Key:
HATRJAVAPAPTBH-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C(=O)O)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties