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1217790-42-5 | Benzenepropanoic acid, β-amino-α-hydroxy-3-methoxy-, (αR,βR)-rel-
CAS No: 1217790-42-5 Catalog No: AG0015Z7 MDL No:MFCD07363640
Product Description
Catalog Number:
AG0015Z7
Chemical Name:
Benzenepropanoic acid, β-amino-α-hydroxy-3-methoxy-, (αR,βR)-rel-
CAS Number:
1217790-42-5
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD07363640
IUPAC Name:
(2R,3R)-3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO4/c1-15-7-4-2-3-6(5-7)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChI Key:
ICTHUARFCCZYSQ-RKDXNWHRSA-N
SMILES:
COc1cccc(c1)[C@H]([C@H](C(=O)O)O)N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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