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1217709-00-6 | Benzenepropanoic acid, β-amino-α-hydroxy-4-methyl-, (αR,βR)-rel-
CAS No: 1217709-00-6 Catalog No: AG0015W3 MDL No:MFCD07363628
Product Description
Catalog Number:
AG0015W3
Chemical Name:
Benzenepropanoic acid, β-amino-α-hydroxy-4-methyl-, (αR,βR)-rel-
CAS Number:
1217709-00-6
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD07363628
IUPAC Name:
(2S,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChI Key:
MXALXDNRLYPVEU-IUCAKERBSA-N
SMILES:
N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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