AG00C05X

Name: 3-Methylhexanoic acid
Brand: Angene Chemical
SKU: AG00C05X

3780-58-3 | 3-Methylhexanoic acid

AG00C05X

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CAS Number	3780-58-3
Catalog Number	AG00C05X(AGN-PC-004TNV)
Chemical Name	3-Methylhexanoic acid
IUPAC Name	3-methylhexanoic acid
InChI	InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key	NZQMQVJXSRMTCJ-UHFFFAOYSA-N
MDL Number	MFCD00870847
Molecular Formula	C7H14O2
Molecular Weight	130.1849
SMILES	CCCC(C)CC(O)=O
Synonyms	3-Methylhexanoic acid, 3780-58-3, 3-Methylcaproic acid, 3-methyl-hexanoic acid, Hexanoic acid, 3-methyl-, 3-Methylhexylic acid, 3-METHYLHEXANOICACID, BRN 1721252, AI3-05635, NZQMQVJXSRMTCJ-UHFFFAOYSA-N, 3-Methylhexanoic acid, 97%, 3-methyl hexanoic acid, AC1Q2UJZ, 3-Methyl-2-hexanoic acid, AC1L3U1C, AC1Q5V9R, 2-02-00-00298 (Beilstein Handbook Reference), SCHEMBL276026, CTK1C3633, NSC1248, NSC-1248, NSC74522, LMFA01020081, NSC-74522, SBB061321, AKOS008113630, MCULE-6002154473, NE29028, LS-75338, FT-0692232, ST51047345, EN300-61548, A1-01431, Hexanoicacid,3-methyl-, UNII-E4GWJ09TGV, E4GWJ09TGV, CID95315, AR-1F4479, C7-H14-O2, FA(7:0), 399-36-0,

Complexity	88.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.099g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.187g/mol
Monoisotopic Mass	130.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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