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138617-75-1 | Acetic acid, 2-[[4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]phenyl]thio]-
CAS No: 138617-75-1 Catalog No: AG0018WF MDL No:
Product Description
Catalog Number:
AG0018WF
Chemical Name:
Acetic acid, 2-[[4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]phenyl]thio]-
CAS Number:
138617-75-1
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
IUPAC Name:
2-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]phenyl]sulfanylacetic acid
InChI:
InChI=1S/C18H14N2O3S/c21-17-10-9-16(14-3-1-2-4-15(14)17)20-19-12-5-7-13(8-6-12)24-11-18(22)23/h1-10,21H,11H2,(H,22,23)
InChI Key:
QBQHEJFQVPWHLM-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc(cc1)N=Nc1ccc(c2c1cccc2)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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