AG00IFY9

90001-07-3 | Phosphonic acid, [(4-hydroxyphenyl)methyl]-

AG00IFY9

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CAS Number	90001-07-3
Catalog Number	AG00IFY9(AGN-PC-0NHK1T)
Chemical Name	Phosphonic acid, [(4-hydroxyphenyl)methyl]-
IUPAC Name	(4-hydroxyphenyl)methylphosphonic acid
InChI	InChI=1S/C7H9O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11)
InChI Key	ZHBRSHSRMYZHLS-UHFFFAOYSA-N
MDL Number	MFCD16877729
Molecular Formula	C7H9O4P
Molecular Weight	188.1177
SMILES	Oc1ccc(cc1)CP(=O)(O)O
Synonyms	90001-07-3, 4-hydroxybenzylphosphonic acid, Phosphonic acid, [(4-hydroxyphenyl)methyl]-, (4-Hydroxybenzyl)phosphonic Acid, ACMC-20lsmv, (4-Hydroxyphenyl)methylphosphonic acid, oxybenzylphosphonic acid, 4-(Phosphonomethyl)phenol, SCHEMBL915744, 4-hydroxybenzyl phosphonic acid, CTK3G7213, DTXSID40476083, ZHBRSHSRMYZHLS-UHFFFAOYSA-N, 4-Hydroxybenzylphosphonic acid, 97%, MFCD16877729, ZINC71773906, AKOS017344950, J3.563.608K, H1558,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	188.119g/mol
Monoisotopic Mass	188.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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