AG003R4N

7383-64-4 | 3-Mercaptopropionic acid isopropyl ester

AG003R4N

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CAS Number	7383-64-4
Catalog Number	AG003R4N(AGN-PC-0WAFXE)
Chemical Name	3-Mercaptopropionic acid isopropyl ester
IUPAC Name	propan-2-yl 3-sulfanylpropanoate
InChI	InChI=1S/C6H12O2S/c1-5(2)8-6(7)3-4-9/h5,9H,3-4H2,1-2H3
InChI Key	XPVDFJPXADVZEN-UHFFFAOYSA-N
MDL Number	MFCD24396431
Molecular Formula	C6H12O2S
Molecular Weight	148.2233
SMILES	O=C(OC(C)C)CCS
Synonyms	7383-64-4, Isopropyl 3-Mercaptopropionate, 3-Mercaptopropionic Acid Isopropyl Ester, propan-2-yl 3-sulfanylpropanoate, 3-MERCAPTOPROPANOIC ACID ISOPROPYL ESTER, ACMC-1BDTC, Isopropyl 3-mercaptopropanoate, SCHEMBL5829654, CTK5D8761, DTXSID00616403, ANW-36399, ZINC44076041, 3-MERCAPTOPROPIONICACIDISOPROPYLESTER, DB-055807, TC-125144, FT-0636468, M1435,

Complexity	91.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.056g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.22g/mol
Monoisotopic Mass	148.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319
Packing Group
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
UN Code

Certificate of Analysis

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