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177839-85-9 | Benzenebutanoic acid, β-amino-4-methyl-, (βR)-
CAS No: 177839-85-9 Catalog No: AG0025KY MDL No:MFCD01860927
Product Description
Catalog Number:
AG0025KY
Chemical Name:
Benzenebutanoic acid, β-amino-4-methyl-, (βR)-
CAS Number:
177839-85-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD01860927
IUPAC Name:
(3R)-3-amino-4-(4-methylphenyl)butanoic acid;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-8-2-4-9(5-3-8)6-10(12)7-11(13)14;/h2-5,10H,6-7,12H2,1H3,(H,13,14);1H/t10-;/m1./s1
InChI Key:
LUJTZKGPNYDSGW-HNCPQSOCSA-N
SMILES:
N[C@H](Cc1ccc(cc1)C)CC(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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