Home Other Building Blocks 3-(1-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

3-(1-methyl-1H-pyrrol-3-yl)prop-2-enoic acid

CAS No.:
1613049-53-8
Catalog Number:
AG01BDTE
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
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Product Description
Catalog Number:
AG01BDTE
Chemical Name:
3-(1-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
CAS Number:
1613049-53-8
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD21768717
IUPAC Name:
3-(1-methylpyrrol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H9NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h2-6H,1H3,(H,10,11)
InChI Key:
BKQIMUXRFYSQEA-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccn(c1)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.6  
Properties