AG0033ND

13511-38-1 | 3-Chloro-2,2-dimethylpropionic acid

AG0033ND

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CAS Number	13511-38-1
Catalog Number	AG0033ND(AGN-PC-0JLULM)
Chemical Name	3-Chloro-2,2-dimethylpropionic acid
EC Number	236-848-5
IUPAC Name	3-chloro-2,2-dimethylpropanoic acid
InChI	InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
InChI Key	YBJGQSNSAWZZHL-UHFFFAOYSA-N
MDL Number	MFCD00004195
Molecular Formula	C5H9ClO2
Molecular Weight	136.5768
NSC Number	89696
SMILES	ClCC(C(=O)O)(C)C
UNII	H601192X41
Synonyms	3-Chloropivalic acid, 13511-38-1, 3-Chloro-2,2-dimethylpropionic acid, Chloropivalic acid, Propanoic acid, 3-chloro-2,2-dimethyl-, 3-Chloro-2,2-dimethylpropanoic acid, Chlorotrimethylacetic acid, beta-Chloropivalic acid, UNII-H601192X41, NSC 89696, .beta.-Chloropivalic acid, Propionic acid, 3-chloro-2,2-dimethyl-, YBJGQSNSAWZZHL-UHFFFAOYSA-N, Propanoic acid,3-chloro-2,2-dimethyl-, H601192X41, .beta.-Chloro-.alpha.,.alpha.-dimethylpropionic acid, EINECS 236-848-5, 3-Chloro-2,2-dimethylpropaneoic acid, AC1Q1NKQ, ACMC-1BRA7, beta-Chloro-alpha,alpha-dimethylpropionic acid, AC1L35MX, AC1Q3TS6, SCHEMBL159468, DTXSID0065517, CTK4B9663, s709, NSC89696, ZINC1575580, ANW-19746, MFCD00004195, NSC-89696, AKOS009031436, MCULE-2346120215, 3-Chloro-2,2-dimethylpropanoic acid #, 3-Chloro-2,2-dimethylpropionic acid, 99%, DB-042271, TC-108491, FT-0636906, Propionic acid, 3-chloro-2,2-dimethyl- (8CI), I04-9300, J-006648, InChI=1/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8, |A-Chloropivalic acid, C5H9ClO2, Propanoic acid,2-dimethyl-, Propionic acid,2-dimethyl-, C5-H9-Cl-O2, CID83542, AR-1F2504, C1554, 136-46-9,

Complexity	98.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.029g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.575g/mol
Monoisotopic Mass	136.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number