Home Other Building Blocks 2-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid

2-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid

CAS No.:
130016-65-8
Catalog Number:
AG019X02
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019X02
Chemical Name:
2-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
CAS Number:
130016-65-8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD02302091
IUPAC Name:
2-(2,5-dimethylpyrrol-1-yl)propanoic acid
InChI:
InChI=1S/C9H13NO2/c1-6-4-5-7(2)10(6)8(3)9(11)12/h4-5,8H,1-3H3,(H,11,12)
InChI Key:
KMPVHPUUCYAQFR-UHFFFAOYSA-N
SMILES:
CC(n1c(C)ccc1C)C(=O)O
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties