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74743-93-4 | 2-Hexenedioic acid,5-amino-
CAS No: 74743-93-4 Catalog No: AG005HNB MDL No:
Product Description
Catalog Number:
AG005HNB
Chemical Name:
2-Hexenedioic acid,5-amino-
CAS Number:
74743-93-4
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
5-aminohex-2-enedioic acid
InChI:
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3-5(8)9/h1,3-4H,2,7H2,(H,8,9)(H,10,11)
InChI Key:
LYOPDUCVDCRVNW-UHFFFAOYSA-N
SMILES:
OC(=O)C=CCC(C(=O)O)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.1
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