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7657-86-5 | 2-Naphthalenol, phosphate (3:1)
CAS No: 7657-86-5 Catalog No: AG005KGI MDL No:
Product Description
Catalog Number:
AG005KGI
Chemical Name:
2-Naphthalenol, phosphate (3:1)
CAS Number:
7657-86-5
Molecular Formula:
C30H27O7P
Molecular Weight:
530.5049
IUPAC Name:
naphthalen-2-ol;phosphoric acid
InChI:
InChI=1S/3C10H8O.H3O4P/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)4/h3*1-7,11H;(H3,1,2,3,4)
InChI Key:
IKYFTCPDEZYWRR-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.Oc1ccc2c(c1)cccc2.Oc1ccc2c(c1)cccc2.Oc1ccc2c(c1)cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.149g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
530.513g/mol
Monoisotopic Mass:
530.149g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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