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3160-47-2 | Z-Asp(OMe)-OH
CAS No: 3160-47-2 Catalog No: AG003VDC MDL No:MFCD00133585
Product Description
Catalog Number:
AG003VDC
Chemical Name:
Z-Asp(OMe)-OH
CAS Number:
3160-47-2
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
MDL Number:
MFCD00133585
IUPAC Name:
(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChI Key:
PHMBNDDHIBIDRQ-JTQLQIEISA-N
SMILES:
COC(=O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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