AG002P6F

247186-56-7 | Benzoic acid, 3-formyl-, 1,1-dimethylethyl ester

AG002P6F

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CAS Number	247186-56-7
Catalog Number	AG002P6F(AGN-PC-0NBJNL)
Chemical Name	Benzoic acid, 3-formyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-formylbenzoate
InChI	InChI=1S/C12H14O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-8H,1-3H3
InChI Key	GGPVOXVKIVXELX-UHFFFAOYSA-N
MDL Number	MFCD02180885
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	O=C(OC(C)(C)C)C1=CC=CC(C=O)=C1
Synonyms	Tert-butyl 3-formylbenzoate, 247186-56-7, SCHEMBL895414, CTK7H9844, KS-00003GUT, DTXSID90445709, GGPVOXVKIVXELX-UHFFFAOYSA-N, 3-(Tert-butoxycarbonyl)benzaldehyde, 8305AD, MFCD02180885, SBB093668, ZINC43220534, 3-Formylbenzoic acid tert-butyl ester, AKOS015837458, AS-5105, NE61483, AJ-108514, DB-067253, TR-071904, FT-0714229, Benzoic acid, 3-formyl-, 1,1-dimethylethyl ester, C12H14O3, CID10845940,

Complexity	240
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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