AG00BC0H

2171-74-6 | BENZO[1,3]DIOXOL-2-ONE

AG00BC0H

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CAS Number	2171-74-6
Catalog Number	AG00BC0H(AGN-PC-0JLP59)
Chemical Name	BENZO[1,3]DIOXOL-2-ONE
EC Number	218-521-9
IUPAC Name	1,3-benzodioxol-2-one
InChI	InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key	NZPSDGIEKAQVEZ-UHFFFAOYSA-N
MDL Number	MFCD00129796
Molecular Formula	C7H4O3
Molecular Weight	136.1049
SMILES	O=C1OC2=C(O1)C=CC=C2
Synonyms	1,3-Benzodioxol-2-one, 2171-74-6, Benzo[d][1,3]dioxol-2-one, Catecholcarbonate, BENZO[1,3]DIOXOL-2-ONE, 2H-1,3-benzodioxol-2-one, o-Phenylene carbonate, Pyrocatechol carbonate, 1,3-benzodioxol-2-on, AC1Q6HKS, AC1Q6HLY, AC1L2O2F, SCHEMBL339615, C7H4O3, DTXSID3062231, CTK1A5891, NZPSDGIEKAQVEZ-UHFFFAOYSA-N, HMS1753M10, ZINC1090559, EINECS 218-521-9, 1033AB, ANW-58482, MFCD00129796, AKOS001160509, MCULE-1808893223, NE61392, Carbonic acid, cyclic o-phenylene ester, AJ-25025, AK-81540, DS-16240, ZB016014, TC-147227, FT-0656396, EN300-21286, A815627, J-014255, S14-1345, InChI=1/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4, Catechol carbonate, KST-1B1816, CID75112, AR-1B6474, ZINC01090559, 22242-96-2, 195372-56-6,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.016g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.106g/mol
Monoisotopic Mass	136.016g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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