Home Carboxys 4-Methyl-1h-pyrrole-3-carboxylic acid

4-Methyl-1h-pyrrole-3-carboxylic acid

CAS No.:
40318-15-8
Catalog Number:
AG00CAQE
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$239
- +
Product Description
Catalog Number:
AG00CAQE
Chemical Name:
4-Methyl-1h-pyrrole-3-carboxylic acid
CAS Number:
40318-15-8
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD10565693
IUPAC Name:
methyl 4-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C7H9NO2/c1-5-3-8-4-6(5)7(9)10-2/h3-4,8H,1-2H3
InChI Key:
CXMYWJRJTQUXQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cc1C
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties