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

3-(1-methyl-1H-pyrrol-3-yl)propanoic acid

CAS No.:
171858-12-1
Catalog Number:
AG01C3EJ
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01C3EJ
Chemical Name:
3-(1-methyl-1H-pyrrol-3-yl)propanoic acid
CAS Number:
171858-12-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD20642348
IUPAC Name:
3-(1-methylpyrrol-3-yl)propanoic acid
InChI:
InChI=1S/C8H11NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h4-6H,2-3H2,1H3,(H,10,11)
InChI Key:
MQVFNRISWMTKKW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccn(c1)C
Properties
Complexity:
147  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties