AG003LL1

40150-98-9 | 4-Isobutylbenzaldehyde

AG003LL1

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CAS Number	40150-98-9
Catalog Number	AG003LL1(AGN-PC-0JT6Q9)
Chemical Name	4-Isobutylbenzaldehyde
IUPAC Name	4-(2-methylpropyl)benzaldehyde
InChI	InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChI Key	LXPWGAZYJHUWPM-UHFFFAOYSA-N
MDL Number	MFCD00075760
Molecular Formula	C11H14O
Molecular Weight	162.2283
SMILES	O=CC1=CC=C(CC(C)C)C=C1
Synonyms	4-Isobutylbenzaldehyde, 40150-98-9, 4-(2-Methylpropyl)benzaldehyde, p-Isobutylbenzaldehyde, Benzaldehyde, 4-(2-methylpropyl)-, 4-IsobutYl-Benzaldehyde, Isobutylbenzaldehyde; 95%, LXPWGAZYJHUWPM-UHFFFAOYSA-N, 4-i-butylbenzaldehyde, p-isobutyl benzaldehyde, 4-isobutyl benzaldehyde, ACMC-1AHPF, 4-iso-butyl benzaldehyde, 4-Isobutylbenzaldehyde #, AC1LB71S, SCHEMBL44697, AC1Q1P90, AC1Q6Q62, Jsp006943, DTXSID6074960, CTK3J3176, 4-Isobutylbenzaldehyde, AldrichCPR, ZINC2545414, ANW-29296, MFCD00075760, AKOS009159053, NE11186, VZ36763, AC-15536, AJ-39313, L738, RT-001305, FT-0618807, I0436, A824934, I01-6718, 4015-98-9, C11H14O, 2-Formyl-5-methoxyphenylboronic acid, AR-1G2941, C11-H14-O, CID577537, 404-02-4,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.104g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.232g/mol
Monoisotopic Mass	162.104g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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