AG002IL0

20665-85-4 | Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester

AG002IL0

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CAS Number	20665-85-4
Catalog Number	AG002IL0(AGN-PC-0JSKN0)
Chemical Name	Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
EC Number	243-956-6
FEMA Number	3754
IUPAC Name	(4-formyl-2-methoxyphenyl) 2-methylpropanoate
InChI	InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChI Key	BGKAKRUFBSTALK-UHFFFAOYSA-N
MDL Number	MFCD00169858
Molecular Formula	C12H14O4
Molecular Weight	222.2372
SMILES	O=CC1=CC=C(OC(C(C)C)=O)C(OC)=C1
UNII	C55654RCNR
Synonyms	Vanillin isobutyrate, 20665-85-4, Isobutavan, 4-Formyl-2-methoxyphenyl isobutyrate, Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester, 4-Formyl-2-methoxyphenyl 2-methylpropanoate, UNII-C55654RCNR, C55654RCNR, W-107600, FEMA No. 3754, 3-Methoxy-4-isobutyrylbenzaldehyde, EINECS 243-956-6, 4-Hydroxy-m-anisaldehyde isobutyrate, Isobutyric acid, ester with vanillin, PubChem19622, 4-Hydroxy-3-methoxybenzaldehyde isobutyrate, AC1LBP8G, 4-Hydroxy-m-anisaldehyde 2-methylpropionate, DSSTox_CID_27201, DSSTox_RID_82196, DSSTox_GSID_47201, 4-Hydroxy-3-methoxybenzaldehyde 2-methylpropionate, SCHEMBL229580, AC1Q489T, Jsp004234, CHEMBL3188782, DTXSID9047201, FEMA 3754, BGKAKRUFBSTALK-UHFFFAOYSA-N, 4-formyl-2-methoxyphenylisobutyrate, Vanillin isobutyrate, >=98%, FG, ZINC2534721, ZX-AT016375, Tox21_302542, MFCD00169858, AKOS015890935, ACM20665854, NCGC00256799-01, AN-18537, EN000756, CAS-20665-85-4, FT-0688207, 4-Formyl-2-methoxyphenyl 2-methylpropanoate #, (4-formyl-2-methoxy-phenyl) 2-methylpropanoate, 665V854, I01-8761, Vanillyl isobutyrate, Vanillinisobutyrate, C12H14O4, CID539829, 4-Isobutyroyloxy-3-methoxybenzaldehyde, C12-H14-O4, 4 - formyl - 2 - methoxyphenyl isobutyrate, V0124, (4-formyl-2-methoxyphenyl) 2-methylpropanoate,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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