Home Carboxys 4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid

4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid

CAS No.:
1096790-29-2
Catalog Number:
AG01A96V
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG01A96V
Chemical Name:
4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
CAS Number:
1096790-29-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD11217947
IUPAC Name:
4-(3-methoxyphenyl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(5-9)10-6-13-7-11(10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChI Key:
MWVGZRPLEPVDAB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1c[nH]cc1C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties