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2462-34-2 | L-Valine, phenylmethyl ester, hydrochloride (1:1)
CAS No: 2462-34-2 Catalog No: AG002OT9 MDL No:MFCD00058010
Product Description
Catalog Number:
AG002OT9
Chemical Name:
L-Valine, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
2462-34-2
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD00058010
IUPAC Name:
benzyl (2S)-2-amino-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H/t11-;/m0./s1
InChI Key:
ZIUNABFUHGBCMF-MERQFXBCSA-N
SMILES:
N[C@H](C(=O)OCc1ccccc1)C(C)C.Cl
Properties
Complexity:
198
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:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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