AG00EB2Z

65193-87-5 | 3-Bromopropionaldehydedimethylacetal

AG00EB2Z

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CAS Number	65193-87-5
Catalog Number	AG00EB2Z(AGN-PC-0NIQQC)
Chemical Name	3-Bromopropionaldehydedimethylacetal
EC Number	613-755-1
IUPAC Name	2-cyanoethyl 3-oxobutanoate
InChI	InChI=1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3
InChI Key	SWJVFAOGXDGTCX-UHFFFAOYSA-N
MDL Number	MFCD24687999
Molecular Formula	C7H9NO3
Molecular Weight	155.1513
SMILES	CC(CC(OCCC#N)=O)=O
Synonyms	2-Cyanoethyl 3-oxobutanoate, 65193-87-5, 2-Cyanoethyl 3-Oxobutyrate, 3-Bromopropionaldehydedimethylacetal, cyanoethyl acetoacetate, 2-cyanoethyl acetoacetate, 2-cyanoethy 3-oxobutanoate, (2-cyanoethyl) acetoacetate, (2-cyanoethyl) 3-oxobutanoate, SCHEMBL2566244, SWJVFAOGXDGTCX-UHFFFAOYSA-N, MFCD24687999, ZINC39213720, 3-Oxobutanoic acid 2-cyanoethyl ester, AKOS024462966, CS-12346, SY047108, AX8294857, Butanoic acid, 3-oxo-, 2-cyanoethyl ester, CS-0088550, MFCD24687999 (95%),

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.153g/mol
Monoisotopic Mass	155.058g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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