AG00IASX

610797-22-3 | Benzaldehyde, 5-methyl-2-(1-methylethoxy)-

AG00IASX

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CAS Number	610797-22-3
Catalog Number	AG00IASX(AGN-PC-03ON7A)
Chemical Name	Benzaldehyde, 5-methyl-2-(1-methylethoxy)-
IUPAC Name	5-methyl-2-propan-2-yloxybenzaldehyde
InChI	InChI=1S/C11H14O2/c1-8(2)13-11-5-4-9(3)6-10(11)7-12/h4-8H,1-3H3
InChI Key	JEDRISFAJMTQLC-UHFFFAOYSA-N
MDL Number	MFCD18331386
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=CC1=CC(C)=CC=C1OC(C)C
Synonyms	2-Isopropoxy-5-methylbenzaldehyde, 610797-22-3, 5-Methyl-2-(1-methylethoxy)-benzaldehyde, MFCD18331386, ZINC66153062, 5-methyl-2-propan-2-yloxybenzaldehyde, AKOS005291244, KS-00000L09, 5-methyl-2-(propan-2-yloxy)benzaldehyde, AK279629, DS-11151, Z0730, Q-7252, A1-12445, C11H14O2,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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