Home Other Building Blocks 4-oxo-4-(1H-pyrrol-2-yl)butanoic acid

4-oxo-4-(1H-pyrrol-2-yl)butanoic acid

CAS No.:
71739-65-6
Catalog Number:
AG01A2H8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01A2H8
Chemical Name:
4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
CAS Number:
71739-65-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD20638977
IUPAC Name:
4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
InChI:
InChI=1S/C8H9NO3/c10-7(3-4-8(11)12)6-2-1-5-9-6/h1-2,5,9H,3-4H2,(H,11,12)
InChI Key:
IHWFTTRPDRDPCK-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc[nH]1
NSC Number:
87229
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties