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350792-26-6 | (αS)-α-Amino-3,4-dihydroxybenzenepropanamide
CAS No: 350792-26-6 Catalog No: AG003ADF MDL No:
Product Description
Catalog Number:
AG003ADF
Chemical Name:
(αS)-α-Amino-3,4-dihydroxybenzenepropanamide
CAS Number:
350792-26-6
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
InChI:
InChI=1S/C9H12N2O3/c10-6(9(11)14)3-5-1-2-7(12)8(13)4-5/h1-2,4,6,12-13H,3,10H2,(H2,11,14)/t6-/m0/s1
InChI Key:
DXOJUCNAHCVBRU-LURJTMIESA-N
SMILES:
NC(=O)[C@H](Cc1ccc(c(c1)O)O)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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