AG002DSY

18962-07-7 | Benzaldehyde, 4-(2-methylpropoxy)-

AG002DSY

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CAS Number	18962-07-7
Catalog Number	AG002DSY(AGN-PC-0D5BON)
Chemical Name	Benzaldehyde, 4-(2-methylpropoxy)-
IUPAC Name	4-(2-methylpropoxy)benzaldehyde
InChI	InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7,9H,8H2,1-2H3
InChI Key	PWASYRSZCSTUIW-UHFFFAOYSA-N
MDL Number	MFCD01922006
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	68517
SMILES	C(C(C)C)OC1=CC=C(C=O)C=C1
Synonyms	4-isobutoxybenzaldehyde, 18962-07-7, 4-isobutoxy-benzaldehyde, 4-(2-methylpropoxy)benzaldehyde, p-isobutoxybenzaldehyde, Benzaldehyde,4-(2-methylpropoxy)-, NSC68517, AC1L6P9I, AC1Q1PT4, SCHEMBL970318, CTK4E0176, KS-00000GCO, DTXSID70290416, PWASYRSZCSTUIW-UHFFFAOYSA-N, ALBB-001161, ZINC1695179, BBL029519, Benzaldehyde, 4-(2-methylpropoxy)-, MFCD01922006, NSC-68517, SBB019518, STK346822, AKOS000172341, MCULE-1100215138, VZ29264, AJ-30275, AK-45922, AS-10412, CJ-28431, DB-006850, TR-051475, BB 0218425, CS-0028738, FT-0600831, R5095, ST45157447, EN300-71495, I01-5353, CID249810, A4188, 75792-33-5,

Complexity	146
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	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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