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15106-70-4 | Acetic acid, cyano(phenylazo)- (8CI,9CI)
CAS No: 15106-70-4 Catalog No: AG001N22 MDL No:
Product Description
Catalog Number:
AG001N22
Chemical Name:
Acetic acid, cyano(phenylazo)- (8CI,9CI)
CAS Number:
15106-70-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
IUPAC Name:
2-cyano-2-phenyldiazenylacetic acid
InChI:
InChI=1S/C9H7N3O2/c10-6-8(9(13)14)12-11-7-4-2-1-3-5-7/h1-5,8H,(H,13,14)
InChI Key:
KLGCGHNWWGXWPW-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)O)N=Nc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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