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90891-21-7 | H-HoPhe-OEt.HCl
CAS No: 90891-21-7 Catalog No: AG003Q00 MDL No:MFCD00190691
Product Description
Catalog Number:
AG003Q00
Chemical Name:
H-HoPhe-OEt.HCl
CAS Number:
90891-21-7
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD00190691
IUPAC Name:
ethyl (2S)-2-amino-4-phenylbutanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-;/m0./s1
InChI Key:
PTFKZMFFSIYCOV-MERQFXBCSA-N
SMILES:
CCOC(=O)[C@H](CCc1ccccc1)N.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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