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13795-73-8 | L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester
CAS No: 13795-73-8 Catalog No: AG0017Q2 MDL No:
Product Description
Catalog Number:
AG0017Q2
Chemical Name:
L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester
CAS Number:
13795-73-8
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
IUPAC Name:
ditert-butyl (2S)-2-aminobutanedioate
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6/h8H,7,13H2,1-6H3/t8-/m0/s1
InChI Key:
FNCGNFXGKHSMKJ-QMMMGPOBSA-N
SMILES:
O=C(OC(C)(C)C)C[C@@H](C(=O)OC(C)(C)C)N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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