AG00IDMS

Name: Ethyl 3-(pyrazol-1-yl)propanoate
Brand: Angene Chemical
SKU: AG00IDMS

853270-73-2 | Ethyl 3-(pyrazol-1-yl)propanoate

AG00IDMS

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CAS Number	853270-73-2
Catalog Number	AG00IDMS(AGN-PC-0JO31E)
Chemical Name	Ethyl 3-(pyrazol-1-yl)propanoate
IUPAC Name	ethyl 3-pyrazol-1-ylpropanoate
InChI	InChI=1S/C8H12N2O2/c1-2-12-8(11)4-7-10-6-3-5-9-10/h3,5-6H,2,4,7H2,1H3
InChI Key	CWWSOMWSAZWPOM-UHFFFAOYSA-N
MDL Number	MFCD09468164
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
NSC Number	115004
SMILES	CCOC(CCN1N=CC=C1)=O
Synonyms	ethyl 3-(1H-pyrazol-1-yl)propanoate, 853270-73-2, ETHYL 3-(PYRAZOL-1-YL)PROPANOATE, ethyl 3-pyrazolylpropanoate, NSC115004, AC1L6QCX, ethyl 3-pyrazol-1-ylpropanoate, CTK6F8770, ZINC1704904, MFCD09468164, SBB024630, STK351599, AKOS005167477, MCULE-4471423088, NSC-115004, 1H-Pyrazole-1-propanoic acid, ethyl ester, ST45115391, EN300-231251, CID271435,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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