AG003JWM

40052-13-9 | 3-Tert-butoxy-3-oxopropanoic acid

AG003JWM

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CAS Number	40052-13-9
Catalog Number	AG003JWM(AGN-PC-03H5QT)
Chemical Name	3-Tert-butoxy-3-oxopropanoic acid
EC Number	628-204-0
IUPAC Name	3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI	InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
InChI Key	NGGGZUAEOKRHMA-UHFFFAOYSA-N
MDL Number	MFCD28000348
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	CC(C)(C)OC(=O)CC(O)=O
Synonyms	40052-13-9, 3-tert-Butoxy-3-oxopropanoic acid, Malonic acid mono-tert-butyl ester, mono-tert-Butyl malonate, 3-(tert-Butoxy)-3-oxopropanoic acid, MFCD00191886, 2-(tert-butoxycarbonyl)acetic acid, TERT-BUTYL HYDROGEN MALONATE, mono-tert-Butyl malonate, 95%, NGGGZUAEOKRHMA-UHFFFAOYSA-N, AK-44842, mono-t-butyl malonate, 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid, PubChem13754, AC1LC0UL, AC1Q1MQ8, SCHEMBL52738, Malonicacidmono-tert-butylester, Jsp006930, malonic acid mono t-butyl ester, (tert-Butoxycarbonyl)acetic acid, Malonic acid 1-tert-butyl ester, DTXSID10338003, ZINC395595, ACT09273, CS-D1454, STR04680, ZX-AT007782, 2-(tert-butoxy-carbonyl)acetic acid, 3-tert-butoxy-3-oxo-propanoic acid, ANW-29258, DT1645, SBB067260, 3-(tert-Butoxy)-3-oxopropionic acid, 3-tert-Butoxy-3-oxopropanoic acid #, AKOS015905362, AC-1462, ACN-057467, CM14348, FCH1115594, OR13710, RP18029, 2-[(tert-butyl)oxycarbonyl]acetic acid, ACM40052139, KS-0000056C, AJ-21533, AN-14892, BC200552, CC-30138, DA-03572, S387, SC-19915, SY018591, AB0006392, AX8003876, DB-002525, RT-004094, FT-0639604, M2687, ST24042431, Z-3744, MFCD00191886 (95+%), C-03964, 3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid, I14-2415, J-510984, C7H12O4, CID545853, mono-tert-Butyl malonate, 96% - 25G 25g, Propanedioic acid, mono(1,1-dimethylethyl) ester, 155905-77-4, 155976-13-9, 33130-97-1, 76315-01-0, 910309-12-5,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2922

Certificate of Analysis

Lot Number