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118553-99-4 | H-Orn(2-Cl-Z)-OH
CAS No: 118553-99-4 Catalog No: AG003S91 MDL No:MFCD00235874
Product Description
Catalog Number:
AG003S91
Chemical Name:
H-Orn(2-Cl-Z)-OH
CAS Number:
118553-99-4
Molecular Formula:
C13H17ClN2O4
Molecular Weight:
300.7381
MDL Number:
MFCD00235874
IUPAC Name:
(2S)-2-amino-5-[(2-chlorophenyl)methoxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C13H17ClN2O4/c14-10-5-2-1-4-9(10)8-20-13(19)16-7-3-6-11(15)12(17)18/h1-2,4-5,11H,3,6-8,15H2,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key:
TWPRGWUUQAAZHW-NSHDSACASA-N
SMILES:
O=C(OCc1ccccc1Cl)NCCC[C@@H](C(=O)O)N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.739g/mol
Monoisotopic Mass:
300.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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