AG005V34

72207-94-4 | 2-Ethoxy-4-formylphenyl Acetate

AG005V34

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CAS Number	72207-94-4
Catalog Number	AG005V34(AGN-PC-0JPKMZ)
Chemical Name	2-Ethoxy-4-formylphenyl Acetate
IUPAC Name	(2-ethoxy-4-formylphenyl) acetate
InChI	InChI=1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3
InChI Key	XRZFVPCFHPIMAD-UHFFFAOYSA-N
MDL Number	MFCD01666413
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=CC1=CC=C(OC(C)=O)C(OCC)=C1
Synonyms	2-ethoxy-4-formylphenyl acetate, 72207-94-4, 4-Acetoxy-3-ethoxybenzaldehyde, Ethyl vanillin acetate, Benzaldehyde, 4-(acetyloxy)-3-ethoxy-, BRN 3305672, 4-formyl-2-ethoxyphenyl ethanoate, (2-ethoxy-4-formylphenyl) acetate, (2-ethoxy-4-formyl-phenyl) acetate, MFCD01666413, ethyl-vanillin-acetate, ethyl vanilline acetate, AC1L4ETO, 3-08-00-02030 (Beilstein Handbook Reference), AC1Q35U4, SCHEMBL1254905, DTXSID8072530, CTK2H9171, AKOS B004453, ZINC317595, 2-Ethoxy-4-Formyl-Phenyl Acetate, 4-(Acetyloxy)-3-ethoxybenzaldehyde, ALBB-001418, KS-00000N0W, 8699AE, BBL015304, SBB019906, STK347791, AKOS000304595, MCULE-4105266087, AK326787, AN-37475, DS-11904, LS-24914, ZB010398, TR-051708, R4795, ST45168513, 207E944, SR-01000242024, I01-8762, SR-01000242024-1, C11H12O4, CID155708, C11-H12-O4,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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