AG00IAKX

5963-14-4 | 8-Methylnonanoic Acid

AG00IAKX

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CAS Number	5963-14-4
Catalog Number	AG00IAKX(AGN-PC-0WAKBW)
Chemical Name	8-Methylnonanoic Acid
EC Number	247-673-9
IUPAC Name	8-methylnonanoic acid
InChI	InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key	OAOABCKPVCUNKO-UHFFFAOYSA-N
MDL Number	MFCD00044086
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	CC(C)CCCCCCC(O)=O
UNII	LW5786QCKT
Synonyms	8-Methylnonanoic acid, Isodecanoic acid, 5963-14-4, isocapric acid, UNII-LW5786QCKT, 8-methyl-nonanoic acid, 26403-17-8, LW5786QCKT, OAOABCKPVCUNKO-UHFFFAOYSA-N, MFCD00044086, 8-Methylnonanoic acid, 97%, W-110658, Nonanoic acid, 8-methyl-, Versatic acid, EINECS 247-673-9, LMFA01020247, AI3-05976, AC1L39NP, SCHEMBL633844, AC1Q5W50, DTXSID1067207, CTK1A4285, ZINC2043770, ZX-AT002224, KM0329, SBB088692, AKOS016845711, ACN-053303, OR25668, RP02743, ACM26403178, AJ-33352, CC-23424, AX8012424, FT-0621570, X8438, C-05600, J-519465, I14-90847, 8-Methylnonanoicacid, VERSATICACID, C10H20O2, AR-1H4797, CID111470, C10-H20-O2, FA(10:0), 52627-73-3, 613-03-6,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.146g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.268g/mol
Monoisotopic Mass	172.146g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H319
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number