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887928-49-6 | 2,4-Hexadienedioic acid, 2-amino-5-chloro-
CAS No: 887928-49-6 Catalog No: AG004AU1 MDL No:
Product Description
Catalog Number:
AG004AU1
Chemical Name:
2,4-Hexadienedioic acid, 2-amino-5-chloro-
CAS Number:
887928-49-6
Molecular Formula:
C6H6ClNO4
Molecular Weight:
191.5691
IUPAC Name:
2-amino-5-chlorohexa-2,4-dienedioic acid
InChI:
InChI=1S/C6H6ClNO4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,8H2,(H,9,10)(H,11,12)
InChI Key:
KNAXVHYDFDBJMN-UHFFFAOYSA-N
SMILES:
OC(=O)C(=CC=C(C(=O)O)Cl)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.567g/mol
Monoisotopic Mass:
190.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.6
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