AG003FBW

1185-39-3 | 2,2-Dimethylpentanoic acid

AG003FBW

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CAS Number	1185-39-3
Catalog Number	AG003FBW(AGN-PC-0JKBQZ)
Chemical Name	2,2-Dimethylpentanoic acid
EC Number	214-682-4
IUPAC Name	2,2-dimethylpentanoic acid
InChI	InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChI Key	ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
MDL Number	MFCD00021686
Molecular Formula	C7H14O2
Molecular Weight	130.1849
NSC Number	61983
SMILES	CCCC(C)(C)C(O)=O
UNII	95233IS466
Synonyms	2,2-dimethylvalerate, 2,2-dimethylvaleric acid, 2,2-dimethylvaleric acid, copper (+2) salt, 2,2-dimethylvaleric acid, lithium salt, 2,2-Dimethylpentanoic acid, 1185-39-3, 2,2-DIMETHYLVALERIC ACID, Pentanoic acid, 2,2-dimethyl-, Valeric acid, 2,2-dimethyl-, alpha,alpha-Dimethylvaleric acid, UNII-95233IS466, EINECS 214-682-4, NSC 61983, BRN 1747703, 2,2-dimethyl-pentanoic acid, alpha,alpha-dimethyl valeric acid, ZRYCZAWRXHAAPZ-UHFFFAOYSA-N, .alpha.,.alpha.-Dimethylvaleric acid, 95233IS466, AC1Q2UIO, Valeric acid,2-dimethyl-, ACMC-1CP5X, 2,2-dimethyl valeric acid, Pentanoic acid,2-dimethyl-, 2,2-dimethyl pentanoic acid, 2,2-dimethyl-n-valeric acid, SCHEMBL276239, 2,2,-dimethyl-pentanoic acid, AC1L23V7, CTK0H6829, DTXSID70152141, ZINC388632, 2,2-Dimethylvaleric Acid, Pract., NSC61983, 2,2-Dimethylpentanoic Acid, Pract., 3043AA, ANW-17141, LMFA01020085, MFCD00021686, NSC-61983, SBB007765, AKOS009156424, FR-0287, MCULE-7950118630, 2,2-Dimethylvaleric acid, >=97.0%, alpha,alpha-DIMETHYL-n-VALERIC ACID, Pentanoic acid, 2,2-dimethyl- (9CI), AJ-20717, AN-48775, LS-161077, ST2403572, TC-105886, D2320, FT-0609279, R1422, ST45029023, J-003843, I14-58233, F8883-9292, InChI=1/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9, Neoheptanoic acid, 2,2-Dimethylhexanoic acid, 2,2-DIMETHYLVALERICACID, C7H14O2, CID14455, C7-H14-O2, FA(7:0), 4-02-00-00976 (Beilstein Handbook Reference), 33113-10-9, 813-72-9,

Complexity	106
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	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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