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138738-53-1 | D-Aspartic acid, N-(3-chloropropyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 138738-53-1 Catalog No: AG0019G4 MDL No:
Product Description
Catalog Number:
AG0019G4
Chemical Name:
D-Aspartic acid, N-(3-chloropropyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
138738-53-1
Molecular Formula:
C12H22ClNO4
Molecular Weight:
279.7604
IUPAC Name:
1-O-tert-butyl 4-O-methyl 2-(3-chloropropylamino)butanedioate
InChI:
InChI=1S/C12H22ClNO4/c1-12(2,3)18-11(16)9(8-10(15)17-4)14-7-5-6-13/h9,14H,5-8H2,1-4H3
InChI Key:
YBONMPOAUOVJIE-UHFFFAOYSA-N
SMILES:
ClCCCN[C@@H](C(=O)OC(C)(C)C)CC(=O)OC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.761g/mol
Monoisotopic Mass:
279.124g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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