AG019DAE

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CAS Number	693-19-6
Catalog Number	AG019DAE(AGN-PC-0WBNSD)
Chemical Name	7-Methyloctanoic acid
EC Number	248-092-3
IUPAC Name	7-methyloctanoic acid
InChI	InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key	XZOYHFBNQHPJRQ-UHFFFAOYSA-N
MDL Number	MFCD00055380
Molecular Formula	C9H18O2
Molecular Weight	158.2380
SMILES	CC(CCCCCC(=O)O)C
UNII	M3MIU88L6U
Synonyms	ISONONANOIC ACID, 7-methyloctanoic acid, 26896-18-4, 693-19-6, Octanoic acid, 7-methyl-, 7-methyl-octanoic acid, 7-methyl caprylic acid, UNII-M3MIU88L6U, M3MIU88L6U, tert-Nonanoic acid, Isononansaure, isononanic acid, isopelargonic acid, iso-nonanoic acid, 7-Methyloctansaeure, 7-Methyl-octansaeure, 7-methylcaprylic acid, AC1L1PZH, SCHEMBL254102, CHEBI:37108, CTK1A2940, KS-00000ZZD, XZOYHFBNQHPJRQ-UHFFFAOYSA-N, ZINC2012819, LMFA01020003, AKOS006272652, MCULE-6934503036, NE48204, RTR-013846, U877, LS-166122, TR-013846, FT-0621464, FT-0655830, A836428, I04-1150, Z1318357728, Isononylic acid, Isononanoicacid, 7-Methyloctanoicacid, UNII-AW943Q219O, EINECS 248-092-3, C9H18O2, CID33635, C9-H18-O2, FA(9:0), 3302-10-1,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.241g/mol
Monoisotopic Mass	158.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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