Home Other Building Blocks 2-Methylisophthalic acid

2-Methylisophthalic acid

CAS No.:
15120-47-5
Catalog Number:
AG001N6B
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$163
- +
1g
95%
1 week
United States
$370
- +
Product Description
Catalog Number:
AG001N6B
Chemical Name:
2-Methylisophthalic acid
CAS Number:
15120-47-5
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00157035
IUPAC Name:
2-methylbenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C9H8O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
AIDLAEPHWROGFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)C(=O)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties