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1217705-78-6 | Benzenepropanoic acid, β-amino-α-hydroxy-2-methyl-, (αR,βR)-rel-
CAS No: 1217705-78-6 Catalog No: AG0015W7 MDL No:MFCD07363616
Product Description
Catalog Number:
AG0015W7
Chemical Name:
Benzenepropanoic acid, β-amino-α-hydroxy-2-methyl-, (αR,βR)-rel-
CAS Number:
1217705-78-6
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD07363616
IUPAC Name:
(2R,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-6-4-2-3-5-7(6)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChI Key:
VFZRMUSJGAGTPL-RKDXNWHRSA-N
SMILES:
OC(=O)[C@@H]([C@@H](c1ccccc1C)N)O
Properties
Complexity:
208
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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