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177839-86-0 | Benzenebutanoic acid, β-amino-4-methoxy-, (R)- (9CI)
CAS No: 177839-86-0 Catalog No: AG0025KX MDL No:
Product Description
Catalog Number:
AG0025KX
Chemical Name:
Benzenebutanoic acid, β-amino-4-methoxy-, (R)- (9CI)
CAS Number:
177839-86-0
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
(3R)-3-amino-4-(4-methoxyphenyl)butanoic acid
InChI:
InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(12)7-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m1/s1
InChI Key:
GQFFGGKZIKRIFE-SECBINFHSA-N
SMILES:
COc1ccc(cc1)C[C@H](CC(=O)O)N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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