Home Aminos 4-[(3,4-dihydro-2H-pyrrol-5-yl)amino]benzoic acid

4-[(3,4-dihydro-2H-pyrrol-5-yl)amino]benzoic acid

CAS No.:
1280572-62-4
Catalog Number:
AG01B67V
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
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Product Description
Catalog Number:
AG01B67V
Chemical Name:
4-[(3,4-dihydro-2H-pyrrol-5-yl)amino]benzoic acid
CAS Number:
1280572-62-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD16495967
IUPAC Name:
4-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoic acid
InChI:
InChI=1S/C11H12N2O2/c14-11(15)8-3-5-9(6-4-8)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)(H,14,15)
InChI Key:
DRNRLINOMGTASW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NC1=NCCC1
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties