AG003QB5

106508-62-7 | Ethyl 4-isocyanatobutyrate

AG003QB5

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CAS Number	106508-62-7
Catalog Number	AG003QB5(AGN-PC-0KUJ5O)
Chemical Name	Ethyl 4-isocyanatobutyrate
IUPAC Name	ethyl 4-isocyanatobutanoate
InChI	InChI=1S/C7H11NO3/c1-2-11-7(10)4-3-5-8-6-9/h2-5H2,1H3
InChI Key	GVDRIEURYWMQNO-UHFFFAOYSA-N
MDL Number	MFCD01863579
Molecular Formula	C7H11NO3
Molecular Weight	157.1671
SMILES	O=C(OCC)CCCN=C=O
Synonyms	Ethyl 4-isocyanatobutyrate, Ethyl 4-isocyanatobutanoate, 106508-62-7, ACMC-20akye, AC1MQ3ZU, ethyl-4-isocyanatobutyrate, SCHEMBL49063, AC1Q34S8, CTK4A4607, DTXSID60392534, Ethyl 4-isocyanatobutyrate, 97%, GVDRIEURYWMQNO-UHFFFAOYSA-N, ZINC2387273, 4-isocyanato-butyric acid ethyl ester, AKOS009157160, Butanoic acid,4-isocyanato-, ethyl ester, DA-15862, RT-022315, FT-0761126, J-001602, I14-54335, CID3445674,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	157.169g/mol
Monoisotopic Mass	157.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number