AG00IBXP

69393-72-2 | 1,3-Benzodioxol-4-ol

AG00IBXP

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CAS Number	69393-72-2
Catalog Number	AG00IBXP(AGN-PC-0JTCC8)
Chemical Name	1,3-Benzodioxol-4-ol
IUPAC Name	1,3-benzodioxol-4-ol
InChI	InChI=1S/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H2
InChI Key	XRSKRSVTUVLURN-UHFFFAOYSA-N
MDL Number	MFCD00092232
Molecular Formula	C7H6O3
Molecular Weight	138.1207
SMILES	OC1=C2OCOC2=CC=C1
Synonyms	1,3-Benzodioxol-4-ol, 69393-72-2, BENZO[D][1,3]DIOXOL-4-OL, 2,3-Methylenedioxyphenol, 4-hydroxy-1,3-benzodioxole, 2H-1,3-benzodioxol-4-ol, XRSKRSVTUVLURN-UHFFFAOYSA-N, methylendioxyphenol, methylenedioxyphenol, AC1LBPF5, 1,3-Benzodioxole-4-ol, Benzo[1,3]dioxol-4-ol, 1,3-Benzodioxol-4-ol #, SCHEMBL118556, 4-hydroxyl-benzo[1,3]dioxolane, CTK1J1145, DTXSID00343020, MFCD00092232, ZINC32177070, AKOS005063023, AK318226, SC-89455, FT-0700549, InChI=1/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H, CID586727,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.032g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.122g/mol
Monoisotopic Mass	138.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number