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26204-01-3 | 1-Naphthalenecarboperoxoic acid, 8-carboxy-
CAS No: 26204-01-3 Catalog No: AG002S92 MDL No:
Product Description
Catalog Number:
AG002S92
Chemical Name:
1-Naphthalenecarboperoxoic acid, 8-carboxy-
CAS Number:
26204-01-3
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
8-carbonoperoxoylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H8O5/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)17-16/h1-6,16H,(H,13,14)
InChI Key:
IZXGGYJZOSTESI-UHFFFAOYSA-N
SMILES:
OOC(=O)c1cccc2c1c(ccc2)C(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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