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159526-21-3 | Benzoic acid, 2-amino-5-(1-pyrrolidinyl)-
CAS No: 159526-21-3 Catalog No: AG001R59 MDL No:MFCD12816217
Product Description
Catalog Number:
AG001R59
Chemical Name:
Benzoic acid, 2-amino-5-(1-pyrrolidinyl)-
CAS Number:
159526-21-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD12816217
IUPAC Name:
2-amino-5-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChI Key:
PXDJWGTVWILAIK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)N1CCCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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