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115705-34-5 | Aspartic acid, N-[[(4-methoxyphenyl)methoxy]carbonyl]-
CAS No: 115705-34-5 Catalog No: AG000GRV MDL No:
Product Description
Catalog Number:
AG000GRV
Chemical Name:
Aspartic acid, N-[[(4-methoxyphenyl)methoxy]carbonyl]-
CAS Number:
115705-34-5
Molecular Formula:
C13H15NO7
Molecular Weight:
297.2607
IUPAC Name:
2-[(4-methoxyphenyl)methoxycarbonylamino]butanedioic acid
InChI:
InChI=1S/C13H15NO7/c1-20-9-4-2-8(3-5-9)7-21-13(19)14-10(12(17)18)6-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChI Key:
XBKYPZOLAAFYCF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)N[C@H](C(=O)O)CC(=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.263g/mol
Monoisotopic Mass:
297.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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