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74616-69-6 | Acetic acid, [(1-nitro-2-naphthalenyl)sulfinyl]-
CAS No: 74616-69-6 Catalog No: AG005J2I MDL No:
Product Description
Catalog Number:
AG005J2I
Chemical Name:
Acetic acid, [(1-nitro-2-naphthalenyl)sulfinyl]-
CAS Number:
74616-69-6
Molecular Formula:
C12H9NO5S
Molecular Weight:
279.2686
IUPAC Name:
2-(1-nitronaphthalen-2-yl)sulfinylacetic acid
InChI:
InChI=1S/C12H9NO5S/c14-11(15)7-19(18)10-6-5-8-3-1-2-4-9(8)12(10)13(16)17/h1-6H,7H2,(H,14,15)
InChI Key:
JXHJZSDUCMUHOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)c1ccc2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.266g/mol
Monoisotopic Mass:
279.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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