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

3-(1H-pyrrol-1-yl)butanoic acid

CAS No.:
94807-08-6
Catalog Number:
AG01AAP2
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AAP2
Chemical Name:
3-(1H-pyrrol-1-yl)butanoic acid
CAS Number:
94807-08-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD11649541
IUPAC Name:
3-pyrrol-1-ylbutanoic acid
InChI:
InChI=1S/C8H11NO2/c1-7(6-8(10)11)9-4-2-3-5-9/h2-5,7H,6H2,1H3,(H,10,11)
InChI Key:
XNVBCXDROBEFKR-UHFFFAOYSA-N
SMILES:
CC(n1cccc1)CC(=O)O
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties