AG00C8CU

Name: 3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid
Brand: Angene Chemical
SKU: AG00C8CU

395090-68-3 | 3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid

AG00C8CU

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CAS Number	395090-68-3
Catalog Number	AG00C8CU(AGN-PC-0RJX5K)
Chemical Name	3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid
IUPAC Name	3-methyl-3-pyrrol-1-ylbutanoic acid
InChI	InChI=1S/C9H13NO2/c1-9(2,7-8(11)12)10-5-3-4-6-10/h3-6H,7H2,1-2H3,(H,11,12)
InChI Key	FVUKITSPMXBMLI-UHFFFAOYSA-N
MDL Number	MFCD00232890
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
SMILES	CC(CC(=O)O)(C)N1C=CC=C1
Synonyms	3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid, 395090-68-3, 3-METHYL-3-(1H-PYRROL-1-YL)BUTANOICACID, Peakdale1_000647, AC1MC48H, SCHEMBL1132885, CTK7J1878, HMS519N09, 3-methyl-3-pyrrolylbutanoic acid, ZINC154283, 2421AE, MFCD00232890, SBB088097, 3-methyl-3-pyrrol-1-ylbutanoic acid, AKOS006229368, FS-1759, RTR-040842, 3-methyl-3-(pyrrol-1-yl)butanoic acid, KS-0000258U, A,A-Dimethyl-1H-pyrrole-1-propanoic acid, TR-040842, FT-0676507, 3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid, AldrichCPR, C9H13NO2, 3-METHYL-3- BUTANOICACID, CID2761125,

Complexity	171
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	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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