AG003LSA

45019-28-1 | 4-Methylnonanoic acid

AG003LSA

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CAS Number	45019-28-1
Catalog Number	AG003LSA(AGN-PC-0JL4SL)
Chemical Name	4-Methylnonanoic acid
EC Number	256-180-8
FEMA Number	3574
IUPAC Name	4-methylnonanoic acid
InChI	InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key	WQTZCQIRCYSUBQ-UHFFFAOYSA-N
MDL Number	MFCD00051789
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	CCCCCC(C)CCC(O)=O
Synonyms	4-Methylnonanoic acid, 45019-28-1, Nonanoic acid, 4-methyl-, 4-methyl nonanoic acid, 4-Methylpelargonic acid, 4-Methylnonan-1-oic acid, FEMA No. 3574, EINECS 256-180-8, AI3-30047, AK112837, Nonanoic acid, 4-methyl-, (4R)-, ACMC-20mr8v, Nonanoic acid,4-methyl-, ACMC-1AQZ1, AC1L1WB4, SCHEMBL415729, CTK4I8588, WQTZCQIRCYSUBQ-UHFFFAOYSA-N, 124918-65-6, 6213AB, LMFA01020408, MFCD00051789, 4-Methylnonanoic acid, >=97%, FG, AKOS015950858, DS-6046, LS-2944, MCULE-3703948906, VZ29420, CC-19942, AB1006055, AX8012423, DB-051261, TC-168661, FT-0619093, M2380, ST24043925, C-05598, I14-107914, null, UNII-5BKU622F1K, 4-METHYLNONANOICACID, 5BKU622F1K, C10H20O2, CID62003, C10-H20-O2, FA(10:0),

Complexity	121
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	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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