AG008Z2X

10537-86-7 | 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde

AG008Z2X

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CAS Number	10537-86-7
Catalog Number	AG008Z2X(AGN-PC-0JLU2G)
Chemical Name	4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
EC Number	234-111-2
IUPAC Name	4-hydroxy-3,5-di(propan-2-yl)benzaldehyde
InChI	InChI=1S/C13H18O2/c1-8(2)11-5-10(7-14)6-12(9(3)4)13(11)15/h5-9,15H,1-4H3
InChI Key	WVGDLTQPAQUBMO-UHFFFAOYSA-N
MDL Number	MFCD00812875
Molecular Formula	C13H18O2
Molecular Weight	206.2808
SMILES	O=CC1=CC(C(C)C)=C(O)C(C(C)C)=C1
Synonyms	4-hydroxy-3,5-diisopropylbenzaldehyde, 10537-86-7, 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde, 4-hydroxy-3,5-di(propan-2-yl)benzaldehyde, 3,5-diisopropyl-4-hydroxybenzaldehyde, WVGDLTQPAQUBMO-UHFFFAOYSA-N, EINECS 234-111-2, CDS1_003950, CBMicro_017454, AC1L33YK, Cambridge id 5318853, CHEMBL55354, DivK1c_004990, AC1Q6Q36, SCHEMBL2597919, CTK4A3796, DTXSID50147095, ZINC297726, CCG-6041, ANW-58021, CD-932, MFCD00812875, 3,5-diisopropy-4-hydroxylbenzaldehyde, AKOS000100686, 3,5-diisopropyl-4-hydroxylbenzaldehyde, MCULE-9155785460, 3,5-di-isopropyl-4-hydroxybenzaldehyde, 3,5-diisopropyl-4-hydroxy-benzaldehyde, AJ-19033, 3,5,-di-iso-propyl 4 hydroxybenzaldehyde, BIM-0017384.P001, AX8162083, TC-146766, 4-hydroxy-3,5-bis(propan-2-yl)benzaldehyde, CS-0061022, FT-0658174, 3,5-bis(1-methylethyl)-4-hydroxybenzaldehyde, AB00080505-01, Benzaldehyde,4-hydroxy-3,5-bis(1-methylethyl)-, AT-057/11549756, Benzaldehyde, 4-hydroxy-3,5-bis(1-methylethyl)-, SR-01000204401, I01-3649, SR-01000204401-1, 4-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZALDEHYDE, D0U2XR, CID82712, AR-1G2667, C13-H18-O2, CB10437, 4-Hydroxy-3,5-diisopropyl-benzaldehyde, N/A, 10588-15-5,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.285g/mol
Monoisotopic Mass	206.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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