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1315475-29-6 | Benzoic acid, 3-amino-4-(1H-pyrrol-1-yl)-
CAS No: 1315475-29-6 Catalog No: AG000ZEJ MDL No:
Product Description
Catalog Number:
AG000ZEJ
Chemical Name:
Benzoic acid, 3-amino-4-(1H-pyrrol-1-yl)-
CAS Number:
1315475-29-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
3-amino-4-pyrrol-1-ylbenzoic acid
InChI:
InChI=1S/C11H10N2O2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h1-7H,12H2,(H,14,15)
InChI Key:
NJOUEJXRWNWAAC-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1n1cccc1)C(=O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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