Home Other Building Blocks 3-Methyl-3-(1h-pyrrol-1-yl)butanoic acid

3-Methyl-3-(1h-pyrrol-1-yl)butanoic acid

CAS No.:
395090-68-3
Catalog Number:
AG00C8CU
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$78
- +
250mg
1 week
United States
$114
- +
1g
1 week
United States
$198
- +
Product Description
Catalog Number:
AG00C8CU
Chemical Name:
3-Methyl-3-(1h-pyrrol-1-yl)butanoic acid
CAS Number:
395090-68-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00232890
IUPAC Name:
3-methyl-3-pyrrol-1-ylbutanoic acid
InChI:
InChI=1S/C9H13NO2/c1-9(2,7-8(11)12)10-5-3-4-6-10/h3-6H,7H2,1-2H3,(H,11,12)
InChI Key:
FVUKITSPMXBMLI-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cccc1)(C)C
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:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties