AG002UG9

276884-77-6 | Acetic acid, 2-(4-formylphenoxy)-, 1,1-dimethylethyl ester

AG002UG9

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CAS Number	276884-77-6
Catalog Number	AG002UG9(AGN-PC-0JU703)
Chemical Name	Acetic acid, 2-(4-formylphenoxy)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-(4-formylphenoxy)acetate
InChI	InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-16-11-6-4-10(8-14)5-7-11/h4-8H,9H2,1-3H3
InChI Key	TZONEPGXYVZUKR-UHFFFAOYSA-N
MDL Number	MFCD09192333
Molecular Formula	C13H16O4
Molecular Weight	236.2637
SMILES	O=C(OC(C)(C)C)COC1=CC=C(C=O)C=C1
Synonyms	tert-butyl 2-(4-formylphenoxy)acetate, 276884-77-6, tert-butyl (4-formylphenoxy)acetate, Acetic acid, 2-(4-formylphenoxy)-, 1,1-dimethylethyl ester, AC1LCZIQ, ACMC-209gys, SCHEMBL336534, CTK1A2695, DTXSID80348679, TZONEPGXYVZUKR-UHFFFAOYSA-N, 4-t-butoxycarbonylmethoxybenzaldehyde, ANW-26258, MFCD09192333, ZINC10158000, AKOS008715947, 4-(tert-Butoxycarbonylmethoxy)benzaldehyde, AJ-59672, TR-036336, 4-[(tert-butoxycarbonylmethyl)oxy]benzaldehyde, K-6995, (4-formyl-phenoxy)-acetic acid tert-butyl ester, I14-25054, acetic acid, (4-formylphenoxy)-, 1,1-dimethylethyl ester, InChI=1/C13H16O4/c1-13(2,3)17-12(15)9-16-11-6-4-10(8-14)5-7-11/h4-8H,9H2,1-3H, CID639902, tert-Butyl2-(4-formylphenoxy)acetate,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.105g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.267g/mol
Monoisotopic Mass	236.105g/mol
Rotatable Bond Count	6
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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