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124184-67-4 | D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
CAS No: 124184-67-4 Catalog No: AG000LN3 MDL No:MFCD11617949
Product Description
Catalog Number:
AG000LN3
Chemical Name:
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
CAS Number:
124184-67-4
Molecular Formula:
C10H16NO6-
Molecular Weight:
246.2371
MDL Number:
MFCD11617949
IUPAC Name:
(2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m1/s1
InChI Key:
WFPSMPYVXFVVFA-ZCFIWIBFSA-N
SMILES:
COC(=O)C[C@H](C(=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.247g/mol
Monoisotopic Mass:
247.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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