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75176-62-4 | Benzeneacetic acid, a-amino-4-(1-pyrrolidinyl)-
CAS No: 75176-62-4 Catalog No: AG005E27 MDL No:
Product Description
Catalog Number:
AG005E27
Chemical Name:
Benzeneacetic acid, a-amino-4-(1-pyrrolidinyl)-
CAS Number:
75176-62-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-amino-2-(4-pyrrolidin-1-ylphenyl)acetic acid
InChI:
InChI=1S/C12H16N2O2/c13-11(12(15)16)9-3-5-10(6-4-9)14-7-1-2-8-14/h3-6,11H,1-2,7-8,13H2,(H,15,16)
InChI Key:
RTKPXWNGEYBJTF-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)N1CCCC1)C(=O)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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