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17752-78-2 | Phosphoric acid, dimethyl 1-naphthalenyl ester
CAS No: 17752-78-2 Catalog No: AG0025DI MDL No:
Product Description
Catalog Number:
AG0025DI
Chemical Name:
Phosphoric acid, dimethyl 1-naphthalenyl ester
CAS Number:
17752-78-2
Molecular Formula:
C12H13O4P
Molecular Weight:
252.2030
IUPAC Name:
dimethyl naphthalen-1-yl phosphate
InChI:
InChI=1S/C12H13O4P/c1-14-17(13,15-2)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChI Key:
OYPGIQMYQJUAEM-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1cccc2c1cccc2)OC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.206g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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