AG003CQ1

73991-95-4 | (S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

AG003CQ1

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CAS Number	73991-95-4
Catalog Number	AG003CQ1(AGN-PC-0OHDCR)
Chemical Name	(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC Name	2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
InChI	InChI=1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChI Key	IDQOCLIWDMZKBZ-BYPYZUCNSA-N
MDL Number	MFCD00211273
Molecular Formula	C7H10O5
Molecular Weight	174.1513
SMILES	O=C(O)C[C@@H]1OC(C)(C)OC1=O
Synonyms	73991-95-4, (S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, [(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid, (S)-(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid, ((4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic, (S)-(2,2-dimethyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid, 1,3-dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4S)-, 2-((4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, (L)-malic acid acetonide, AC1LD3G9, AC1Q2CR7, (S)-[2,2-Dimethyl-5-oxodioxolan-4-yl]acetic acid, SCHEMBL1005092, IDQOCLIWDMZKBZ-BYPYZUCNSA-N, ZINC388621, MFCD00211273, AKOS016844195, FCH2717134, AJ-20713, AK126325, AB0107766, AX8068911, DB-074771, ST2414568, TC-172579, FT-0667498, ST50405906, I04-8538, 2,2-Dimethyl-5-oxo-1,3-dioxolane-4beta-acetic acid, (S)-(2,2-Dimethyl-5-oxo[1,3]dioxolan-4-yl)acetic Acid, ((S)-2,2-dimethyl-5-oxo-[1,3]dioxolan-4-yl)-acetic acid, (S)-(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, 95%, InChI=1/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s, acetonide, CID641720, (S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)aceticacid, 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	174.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.152g/mol
Monoisotopic Mass	174.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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

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