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13188-89-1 | D-Aspartic acid, 4-(phenylmethyl) ester
CAS No: 13188-89-1 Catalog No: AG000ZVT MDL No:MFCD00077100
Product Description
Catalog Number:
AG000ZVT
Chemical Name:
D-Aspartic acid, 4-(phenylmethyl) ester
CAS Number:
13188-89-1
Molecular Formula:
C11H12NO4-
Molecular Weight:
222.2173
MDL Number:
MFCD00077100
IUPAC Name:
(2R)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m1/s1
InChI Key:
VGALFAWDSNRXJK-SECBINFHSA-N
SMILES:
N[C@@H](C(=O)[O-])CC(=O)OCc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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