AG003ABR

135355-96-3 | (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid

AG003ABR

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	135355-96-3
Catalog Number	AG003ABR(AGN-PC-0PKLM7)
Chemical Name	(E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid
IUPAC Name	(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
InChI	InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+
InChI Key	BAXKSCVINAKVNE-SNAWJCMRSA-N
MDL Number	MFCD08669525
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(O)/C=C/C(OC(C)(C)C)=O
Synonyms	135355-96-3, Fumaric Acid Mono-Tert-Butyl Ester, (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid, C8H12O4, AK315839, 4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID, AC1NY0YI, (E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid, SCHEMBL642105, Fumaric Acid tert-Butyl Ester, SCHEMBL1964699, Fumaric acid mono-t-butyl ester, Fumaric acid 1-tert-butyl ester, 2-Butenedioic acid (2E)-, 1-(1,1-dimethylethyl) ester, BAXKSCVINAKVNE-SNAWJCMRSA-N, 120515-28-8, 3911AD, MFCD08669525, ZINC15975168, AKOS006289274, 2-Butenedioic acid 1-tert-butyl ester, Z-2476, CID5797551, (E)-4-TERT-BUTOXY-4-OXOBUT-2-ENOIC ACID, 4-[(2-methylpropan-2-yl)oxy]-4-oxo-but-2-enoic Acid,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number