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114195-61-8 | D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1,4-dimethyl ester
CAS No: 114195-61-8 Catalog No: AG000ARU MDL No:
Product Description
Catalog Number:
AG000ARU
Chemical Name:
D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1,4-dimethyl ester
CAS Number:
114195-61-8
Molecular Formula:
C14H17NO6
Molecular Weight:
295.2879
IUPAC Name:
dimethyl (2R)-2-(phenylmethoxycarbonylamino)butanedioate
InChI:
InChI=1S/C14H17NO6/c1-19-12(16)8-11(13(17)20-2)15-14(18)21-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChI Key:
YPDSGUUJTVECEP-LLVKDONJSA-N
SMILES:
COC(=O)[C@@H](CC(=O)OC)NC(=O)OCc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
295.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.291g/mol
Monoisotopic Mass:
295.106g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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