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24868-49-3 | L-Aspartic acid, N,N-bis(carboxymethyl)-
CAS No: 24868-49-3 Catalog No: AG002PPO MDL No:
Product Description
Catalog Number:
AG002PPO
Chemical Name:
L-Aspartic acid, N,N-bis(carboxymethyl)-
CAS Number:
24868-49-3
Molecular Formula:
C8H11NO8
Molecular Weight:
249.1748
IUPAC Name:
(2S)-2-[bis(carboxymethyl)amino]butanedioic acid
InChI:
InChI=1S/C8H11NO8/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t4-/m0/s1
InChI Key:
DCCWEYXHEXDZQW-BYPYZUCNSA-N
SMILES:
OC(=O)CN([C@H](C(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
249.175g/mol
Monoisotopic Mass:
249.048g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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