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

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

CAS No.:
85310-57-2
Catalog Number:
AG019TCR
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
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Product Description
Catalog Number:
AG019TCR
Chemical Name:
3-(1H-pyrrol-3-yl)prop-2-enoic acid
CAS Number:
85310-57-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD12923678
IUPAC Name:
(E)-3-(1H-pyrrol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO2/c9-7(10)2-1-6-3-4-8-5-6/h1-5,8H,(H,9,10)/b2-1+
InChI Key:
GDACOBAFWPGBOL-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1c[nH]cc1
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties