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123986-58-3 | Benzoic acid, 3-amino-4-(1-pyrrolidinyl)-
CAS No: 123986-58-3 Catalog No: AG000LBA MDL No:MFCD06010205
Product Description
Catalog Number:
AG000LBA
Chemical Name:
Benzoic acid, 3-amino-4-(1-pyrrolidinyl)-
CAS Number:
123986-58-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD06010205
IUPAC Name:
3-amino-4-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H14N2O2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)
InChI Key:
QXWKTXWBBLXQFC-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:
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:
1.4
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