AG0036WP

65874-27-3 | tert-Butyl 4-formylbenzoate

AG0036WP

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CAS Number	65874-27-3
Catalog Number	AG0036WP(AGN-PC-0KKI7N)
Chemical Name	tert-Butyl 4-formylbenzoate
IUPAC Name	tert-butyl 4-formylbenzoate
InChI	InChI=1S/C12H14O3/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-8H,1-3H3
InChI Key	DUNFNBQQWYQKFE-UHFFFAOYSA-N
MDL Number	MFCD01111994
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	C(=O)C1=CC=C(C(=O)OC(C)(C)C)C=C1
Synonyms	tert-butyl 4-formylbenzoate, 65874-27-3, 4-formyl-benzoic acid mono tert-butyl ester, 4-(tert-Butoxycarbonyl)benzaldehyde, 4-formylbenzoic acid tert-butyl ester, 4-formyl-benzoic acid tert-butyl ester, Benzoic acid, 4-formyl-, 1,1-dimethylethyl ester, AC1MBJAV, t-butyl p-formylbenzoate, t-butyl 4-formylbenzoate, t-butyl-p-formyl-benzoate, tert-butyl-4-formylbenzoate, tert-butyl 4-methanoylbenzoate, SCHEMBL1185621, CTK5C3210, DTXSID50372845, DUNFNBQQWYQKFE-UHFFFAOYSA-N, 4-formylbenzoic acid t-butyl ester, KS-00000O4J, ZINC2573151, MFCD01111994, AKOS004906771, AS-7050, CS-W007267, NE33573, 4-Formyl-benzoic acid monotert-butylester, AJ-42123, AK155520, SC-67691, SY105829, 4-formylbenzoic acid mono tert-butyl ester, DB-005355, TX-017012, B5414, BB 0262377, FT-0655351, MFCD01111994 (97%), A835260, Benzoicacid, 4-formyl-, 1,1-dimethylethyl ester, A1-01247, S01-0297, ZINC02573151, CID2751588, 4-FORMYL-BENZOICACIDMONOTERT-BUTYLESTER, na,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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