AG003FM3

5779-72-6 | 2,4,5-Trimethylbenzaldehyde

AG003FM3

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CAS Number	5779-72-6
Catalog Number	AG003FM3(AGN-PC-0WBT9C)
Chemical Name	2,4,5-Trimethylbenzaldehyde
IUPAC Name	2,4,5-trimethylbenzaldehyde
InChI	InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3
InChI Key	LROJZZICACKNJL-UHFFFAOYSA-N
MDL Number	MFCD00017713
Molecular Formula	C10H12O
Molecular Weight	148.2017
SMILES	O=CC1=CC(C)=C(C)C=C1C
Synonyms	duryl aldehyde, 2,4,5-TRIMETHYLBENZALDEHYDE, 5779-72-6, Duryl aldehyde, Duraldehyde, Durylaldehyde, Benzaldehyde, 2,4,5-trimethyl-, 2,4,5-TriMethyl-Benzaldehyde, LROJZZICACKNJL-UHFFFAOYSA-N, PubChem16351, AC1L2JKK, AC1Q2HVY, AC1Q2QMF, ACMC-209m0g, Trimethylbenzaldehyde; 97%, SCHEMBL97117, Benzaldehyde,2,4,5-trimethyl-, CTK5A7450, LROJZZICACKNJL-UHFFFAOYSA-, DTXSID80206482, ZINC2566202, 2,4,5-Trimethylbenzaldehyde, 90%, ANW-32798, MFCD00017713, AKOS000121425, NE10782, DB-053105, TC-121543, FT-0635848, X4596, A831603, I01-17492, InChI=1/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3, C10H12O, CID22013, C10-H12-O, T1411,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.205g/mol
Monoisotopic Mass	148.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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