4-Nitrophenyl trimethylacetate

CAT: 0024-sc-232928Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232928Size:25 g

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CAS Number

4195-17-9

Chemical Information

4-Nitrophenyl 2,2-dimethylpropanoate

CAS Number	4195-17-9
PubChem CID	77859
IUPAC Name	(4-nitrophenyl) 2,2-dimethylpropanoate
Molecular Formula	C11H13NO4
Molecular Weight	223.22
XLogP	2.9
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	269

SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3

InChIKey

QADVJDGFQGNSIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4195-17-9

CID: 77859

Formula: C11H13NO4

MW: 223.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.22
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	223.08445790
Monoisotopic Mass	223.08445790
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-250386	Methyl trimethylacetate
sc-229323	Sodium trimethylacetate hydrate
sc-236671	Rhodium (II) trimethylacetate, dimer
sc-213877	2-Nitrophenyl- (4-nitrophenyl) phenylamine
sc-495718	4- (4-Nitrophenyl) oxazole
sc-261358	4- (4-Nitrophenyl) piperidine
sc-261357	4- (4-Nitrophenyl) morpholine
sc-486520	4-Nitrophenyl Hexanoate
sc-206927B	4-Nitrophenyl palmitate
sc-206927E	4-Nitrophenyl palmitate

Catalog	Name
EN00417	4-Nitrophenyl trimethylacetate
502812	4-ANDROSTEN-17β-OL-3-ONE TRIMETHYLACETATE
TRC-P993515-500MG	Potassium Trimethylacetate
OR1013266-01	Ethyl trimethylacetate
RM-P160522-01	Prednisolone 21-Trimethylacetate
abx186560-01	Sodium Trimethylacetate Hydrate
TN9430-01	Sodium Trimethylacetate xHydrate
M29840-01	Methyl trimethylacetate 99%
MBS6045348-01	4-Nitrophenyl
MBS6015447-01	2-Nitrophenyl-(4-nitrophenyl)phenylamine