AG000T99

126802-52-6 | Benzeneacetic acid, α,α-dimethyl-2-nitro-

AG000T99

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CAS Number	126802-52-6
Catalog Number	AG000T99(AGN-PC-0PIF38)
Chemical Name	Benzeneacetic acid, α,α-dimethyl-2-nitro-
IUPAC Name	2-methyl-2-(2-nitrophenyl)propanoic acid
InChI	InChI=1S/C10H11NO4/c1-10(2,9(12)13)7-5-3-4-6-8(7)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key	MBYUEHBQZXQBKX-UHFFFAOYSA-N
MDL Number	MFCD11036963
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	CC(C1=CC=CC=C1[N+]([O-])=O)(C)C(O)=O
Synonyms	2-Methyl-2-(2-nitrophenyl)propanoic acid, 126802-52-6, Benzeneacetic acid, alpha,alpha-dimethyl-2-nitro-, AC1LC7RC, SCHEMBL4008749, CTK8B9073, DTXSID70344307, MBYUEHBQZXQBKX-UHFFFAOYSA-N, 5274AA, ANW-61948, MFCD11036963, ZINC32202227, AKOS016004847, AJ-84991, AS-44855, BC626836, TC-150693, 2-Methyl-2-(2-nitrophenyl)propanoic acid #, Benzeneacetic acid, .alpha.,.alpha.-dimethyl-2-nitro-, Z2205958596, C10H11NO4, CID595844,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number