AG003M2Y

56469-10-4 | 5-(1,1-Dimethylheptyl)resorcinol

AG003M2Y

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CAS Number	56469-10-4
Catalog Number	AG003M2Y(AGN-PC-0JLZDJ)
Chemical Name	5-(1,1-Dimethylheptyl)resorcinol
EC Number	260-193-4
IUPAC Name	5-(2-methyloctan-2-yl)benzene-1,3-diol
InChI	InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
InChI Key	GWBGUJWRDDDVBI-UHFFFAOYSA-N
MDL Number	MFCD03001733
Molecular Formula	C15H24O2
Molecular Weight	236.3499
SMILES	CC(CCCCCC)(C)C=1C=C(C=C(O)C1)O
Synonyms	56469-10-4, 5-(1,1-Dimethylheptyl)resorcinol, 5-(2-methyloctan-2-yl)benzene-1,3-diol, 5-(1,1-Dimethyl-heptyl)resorcinol, 5-(1,1-Dimethyl-heptyl)-benzene-1,3-diol, 1,3-Benzenediol, 5-(1,1-dimethylheptyl)-, 5-(1,1-dimethylheptyl)-resorcinol, 5-(1,1-DIMETHYLHEPTYL)BENZENE-1,3-DIOL, AK-35662, 5-(1,1-dimethyl-heptyl)benzene-1,3-diol, 5-(1',1'-DIMETHYLHEPTYL)RESORCINOL, A1-00610, EINECS 260-193-4, PubChem15656, 5-(2-methyloctan-2-yl)benzol-1,3-diol, AC1L3MYS, SCHEMBL69123, AC1Q79W1, CTK5A5166, DTXSID70205020, 5-(1,1-Dimethylheptyl)resorcino, GWBGUJWRDDDVBI-UHFFFAOYSA-N, 5-(1,1-dimethylheptyl)-resorcin, BCP11297, KS-000001QI, ZINC2585696, 8254AB, ANW-74673, MFCD03001733, AKOS015890349, AC-1727, CD-1259, CD-1555, LS10116, MB02548, RP28236, SS-4366, 5-((1',1'-dimethylheptyl)resorcinol), AJ-43575, AN-14654, BC224667, CC-20572, SC-13755, 1,3-Benzenediol,5-(1,1-dimethylheptyl)-, AB0078399, AX8008253, DB-008433, TC-163418, TL8003654, 5-(1,1-dimethyl-heptyl) benzene-1,3-diol, A8096, AM20040729, FT-0600848, ST24044173, S-8123, 469D104, 5-(1,1-DIMETHYLHEPTYL)-1,3-BENZENEDIOL, C-14023, 5-(1,1'-DIMETHYL-HEPTYL)BENZENE-1,3-DIOL, I01-5908, J-516052, 5- RESORCINOL, C15H24O2, CID91870, 5-(1,1-Dimethyl heptyl)resorcinol, AR-1G5075, ZINC02585696, ACN-043169, C15-H24-O2, 58012-16-1,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.178g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.355g/mol
Monoisotopic Mass	236.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number