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13861-03-5 | Benzeneacetic acid, α-amino-3-carboxy-4-hydroxy-, (αR)-
CAS No: 13861-03-5 Catalog No: AG0018V7 MDL No:
Product Description
Catalog Number:
AG0018V7
Chemical Name:
Benzeneacetic acid, α-amino-3-carboxy-4-hydroxy-, (αR)-
CAS Number:
13861-03-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
5-[(R)-amino(carboxy)methyl]-2-hydroxybenzoic acid
InChI:
InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m1/s1
InChI Key:
CHZBCZTXSTWCIG-SSDOTTSWSA-N
SMILES:
N[C@H](c1ccc(c(c1)C(=O)O)O)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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