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Home Carboxys 2-Methyl-1-propyl-1,3-benzodiazole-5-carboxylic acid

2-Methyl-1-propyl-1,3-benzodiazole-5-carboxylic acid

CAS No.:
68740-33-0
Catalog Number:
AG00FGYC
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00FGYC
Chemical Name:
2-Methyl-1-propyl-1,3-benzodiazole-5-carboxylic acid
CAS Number:
68740-33-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD11103016
IUPAC Name:
2-methyl-1-propylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C12H14N2O2/c1-3-6-14-8(2)13-10-7-9(12(15)16)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChI Key:
LRHJEZOOBANSGC-UHFFFAOYSA-N
SMILES:
CCCn1c(C)nc2c1ccc(c2)C(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties