AG005R9Q

Name: Butyrolactone 3
Brand: Angene Chemical
SKU: AG005R9Q

778649-18-6 | Butyrolactone 3

AG005R9Q

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CAS Number	778649-18-6
Catalog Number	AG005R9Q(AGN-PC-0UCI5R)
Chemical Name	Butyrolactone 3
IUPAC Name	(2S,3R)-4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid
InChI	InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChI Key	SRQUTZJZABSZRQ-NKWVEPMBSA-N
MDL Number	MFCD08702690
Molecular Formula	C9H12O4
Molecular Weight	184.1892
SMILES	CCC[C@@H]1OC(=O)C(=C)[C@H]1C(=O)O
Synonyms	Butyrolactone 3, 778649-18-6, CHEMBL3347571, CTK8E7544, AOB5007, DTXSID60435253, CHEBI:125615, ZINC14724235, AKOS006290263, RT-011837, BRD-K68584490-001-01-2, 2beta-Propyl-4-methylene-5-oxotetrahydrofuran-3alpha-carboxylic acid, MB-3, CID10081070, (2S,3S)-4-methylidene-5-oxo-2-propyl-oxolane-3-carboxylic Acid,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	184.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.191g/mol
Monoisotopic Mass	184.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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