AG01C31W

Name: 4-(2-Oxopropyl)oxane-4-carbonitrile
Brand: Angene Chemical
SKU: AG01C31W

1909306-39-3 | 4-(2-Oxopropyl)oxane-4-carbonitrile

AG01C31W

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CAS Number	1909306-39-3
Catalog Number	AG01C31W
Chemical Name	4-(2-Oxopropyl)oxane-4-carbonitrile
IUPAC Name	4-(2-oxopropyl)oxane-4-carbonitrile
InChI	InChI=1S/C9H13NO2/c1-8(11)6-9(7-10)2-4-12-5-3-9/h2-6H2,1H3
InChI Key	QFZZQHDYGCTPCG-UHFFFAOYSA-N
MDL Number	MFCD29762772
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
SMILES	CC(CC1(C#N)CCOCC1)=O
Synonyms	4-(2-oxopropyl)oxane-4-carbonitrile, 1909306-39-3, SCHEMBL16328226, AKOS033861131, ZINC197845347, Z2306626253,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited