AG003LC1

1124-39-6 | 4-Ethylbenzene-1,2-diol

AG003LC1

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CAS Number	1124-39-6
Catalog Number	AG003LC1(AGN-PC-07A1YL)
Chemical Name	4-Ethylbenzene-1,2-diol
EC Number	214-397-5
IUPAC Name	4-ethylbenzene-1,2-diol
InChI	InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChI Key	HFLGBNBLMBSXEM-UHFFFAOYSA-N
MDL Number	MFCD00015847
Molecular Formula	C8H10O2
Molecular Weight	138.1638
SMILES	CCC1=CC(O)=C(O)C=C1
UNII	574JV8BYR2
Synonyms	4-ethylcatechol, 4-Ethylcatechol, 4-ethylbenzene-1,2-diol, 1124-39-6, 4-Ethylpyrocatechol, 4-Ethyl-1,2-benzenediol, 3,4-Dihydroxyethylbenzene, UNII-574JV8BYR2, 1,2-Benzenediol, 4-ethyl-, Benzenediol, 4-ethyl-, 1,2-Benzenediol,4-ethyl-, 574JV8BYR2, HFLGBNBLMBSXEM-UHFFFAOYSA-N, MFCD00015847, Ethylcatechol, 4-EthylC atechol, EINECS 214-397-5, ACMC-20ahss, 4-Ethylcatechol, 95%, AC1L2ESS, AC1Q7ACN, 4-Ethylpyrocatechol, 8CI, 1-Ethyl-3,4-benzenediol, SCHEMBL56556, 4-Ethyl-1,2-benzenediol #, 1-Ethyl-3,4-dihydroxybenzene, ZINC2501, CHEMBL1276241, CTK3J2967, HFLGBNBLMBSXEM-UHFFFAOYSA-, DTXSID50150029, 2184AA, ANW-73994, AKOS016008639, AS06481, CM10874, FCH1118083, VZ28971, AJ-08160, AS-39285, CC-19133, SC-21618, ZB000528, AX8005236, DB-041091, RT-001160, FT-0618409, A802581, C-01802, J-002778, I14-112680, InChI=1/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3, Ethylpyrocatechol, C8H10O2, CID70761, AR-1G2255, C8-H10-O2, 113639-02-4,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	138.166g/mol
Monoisotopic Mass	138.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

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