AG003IA6

21150-73-2 | 3-(tert-Butoxy)propanoic acid

AG003IA6

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CAS Number	21150-73-2
Catalog Number	AG003IA6(AGN-PC-0KKOAQ)
Chemical Name	3-(tert-Butoxy)propanoic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxy]propanoic acid
InChI	InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChI Key	KXZYUJNAHMNZBA-UHFFFAOYSA-N
MDL Number	MFCD03426042
Molecular Formula	C7H14O3
Molecular Weight	146.1843
SMILES	O=C(O)CCOC(C)(C)C
Synonyms	21150-73-2, 3-tert-Butoxypropionic acid, 3-(tert-butoxy)propanoic acid, 3-tert-Butoxypropanoic acid, 3-(tert-Butoxy)propionic acid, 3-[(2-methylpropan-2-yl)oxy]propanoic Acid, Propanoicacid, 3-(1,1-dimethylethoxy)-, ACMC-1CBKY, AC1MC3TW, 3-tert-butoxy-propionic acid, SCHEMBL242553, CTK1A1354, DTXSID90375431, KXZYUJNAHMNZBA-UHFFFAOYSA-N, ZINC153957, 0797AB, MFCD03426042, SBB086492, AKOS005202766, VZ27248, Propanoicacid,3-(1,1-dimethylethoxy)-, AJ-13127, SC-62531, 3-[(1,1-dimethylethyl)oxy]propanoic acid, Propanoic acid, 3-(1,1-dimethylethoxy)-, DB-045501, TC-170132, FT-0638100, 3-(tert-Butoxy)propionic acid, >=98.0% (T), I04-3965, C7H14O3, CID2760949,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.094g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.186g/mol
Monoisotopic Mass	146.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number