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80548-16-9 | L-Ornithine,N5-(3-hydroxyphenyl)-, dihydrochloride (9CI)
CAS No: 80548-16-9 Catalog No: AG005KMH MDL No:
Product Description
Catalog Number:
AG005KMH
Chemical Name:
L-Ornithine,N5-(3-hydroxyphenyl)-, dihydrochloride (9CI)
CAS Number:
80548-16-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
2-amino-5-(3-hydroxyanilino)pentanoic acid
InChI:
InChI=1S/C11H16N2O3/c12-10(11(15)16)5-2-6-13-8-3-1-4-9(14)7-8/h1,3-4,7,10,13-14H,2,5-6,12H2,(H,15,16)
InChI Key:
OMKJKMCRWYGANH-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCCNc1cccc(c1)O)N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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