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189348-30-9 | Benzaldehyde, 2-hydroxy-4-(phosphonooxy)-
CAS No: 189348-30-9 Catalog No: AG002ICV MDL No:
Product Description
Catalog Number:
AG002ICV
Chemical Name:
Benzaldehyde, 2-hydroxy-4-(phosphonooxy)-
CAS Number:
189348-30-9
Molecular Formula:
C7H7O6P
Molecular Weight:
218.1006
IUPAC Name:
(4-formyl-3-hydroxyphenyl) dihydrogen phosphate
InChI:
InChI=1S/C7H7O6P/c8-4-5-1-2-6(3-7(5)9)13-14(10,11)12/h1-4,9H,(H2,10,11,12)
InChI Key:
OTWAIKAXZGWIOE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)OP(=O)(O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.101g/mol
Monoisotopic Mass:
217.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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