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7408-20-0 | L-Aspartic acid, N-(1,2-dicarboxyethyl)-
CAS No: 7408-20-0 Catalog No: AG005HM5 MDL No:
Product Description
Catalog Number:
AG005HM5
Chemical Name:
L-Aspartic acid, N-(1,2-dicarboxyethyl)-
CAS Number:
7408-20-0
Molecular Formula:
C8H11NO8
Molecular Weight:
249.1748
IUPAC Name:
(2S)-2-(1,2-dicarboxyethylamino)butanedioic acid
InChI:
InChI=1S/C8H11NO8/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4?/m0/s1
InChI Key:
PQHYOGIRXOKOEJ-WUCPZUCCSA-N
SMILES:
OC(=O)C(CC(=O)O)N[C@H](C(=O)O)CC(=O)O
Properties
Complexity:
306
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:
5
Isotope Atom Count:
0
Molecular Weight:
249.175g/mol
Monoisotopic Mass:
249.048g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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