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10144-33-9 | L-Aspartic acid, N-acetyl-, 4-(phenylmethyl) ester
CAS No: 10144-33-9 Catalog No: AG0004HN MDL No:
Product Description
Catalog Number:
AG0004HN
Chemical Name:
L-Aspartic acid, N-acetyl-, 4-(phenylmethyl) ester
CAS Number:
10144-33-9
Molecular Formula:
C13H14NO5-
Molecular Weight:
264.2540
IUPAC Name:
2-acetamido-4-oxo-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C13H15NO5/c1-9(15)14-11(13(17)18)7-12(16)19-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)(H,17,18)
InChI Key:
HGRQBCVXVCWXLS-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)[O-])CC(=O)OCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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