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137938-25-1 | L-Aspartic acid, N-formyl-L-alanyl-
CAS No: 137938-25-1 Catalog No: AG0017P5 MDL No:
Product Description
Catalog Number:
AG0017P5
Chemical Name:
L-Aspartic acid, N-formyl-L-alanyl-
CAS Number:
137938-25-1
Molecular Formula:
C8H12N2O6
Molecular Weight:
232.1907
IUPAC Name:
2-(2-formamidopropanoylamino)butanedioic acid
InChI:
InChI=1S/C8H12N2O6/c1-4(9-3-11)7(14)10-5(8(15)16)2-6(12)13/h3-5H,2H2,1H3,(H,9,11)(H,10,14)(H,12,13)(H,15,16)
InChI Key:
LHABKUQGILYABA-UHFFFAOYSA-N
SMILES:
O=CN[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C
NSC Number:
333573
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.192g/mol
Monoisotopic Mass:
232.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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