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131690-56-7 | Benzenepropanoic acid, β-amino-4-methoxy-, (βS)-
CAS No: 131690-56-7 Catalog No: AG000ZKS MDL No:MFCD04113698
Product Description
Catalog Number:
AG000ZKS
Chemical Name:
Benzenepropanoic acid, β-amino-4-methoxy-, (βS)-
CAS Number:
131690-56-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD04113698
IUPAC Name:
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChI Key:
NYTANCDDCQVQHG-VIFPVBQESA-N
SMILES:
COc1ccc(cc1)[C@H](CC(=O)O)N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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