Methyl 2-methyl-3-nitrobenzoate

CAT: 0024-sc-250341Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-250341Size:25 g

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CAS Number

59382-59-1

Chemical Information

Methyl 2-methyl-3-nitrobenzoate

CAS Number	59382-59-1
PubChem CID	601165
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	2
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3

InChIKey

CRZGFIMLHZTLGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59382-59-1

CID: 601165

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
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-263584A	Methyl 3-methyl-2-nitrobenzoate
sc-263584	Methyl 3-methyl-2-nitrobenzoate
sc-235736	Methyl 3-nitrobenzoate
sc-235694	Methyl 2-nitrobenzoate
sc-295402	Methyl 2-bromo-3-nitrobenzoate
sc-269429	Methyl 2-hydroxy-3-nitrobenzoate
sc-279372	Methyl 3-methoxy-2-nitrobenzoate
sc-295402A	Methyl 2-bromo-3-nitrobenzoate
sc-211824	Methyl 2-Amino-3-nitrobenzoate
sc-263585A	Methyl 3-methyl-4-nitrobenzoate

Catalog	Name
454982-01	Methyl 2-Methyl-3-nitrobenzoate
FM70380	Methyl 3-methyl-2-nitrobenzoate
OR79285-01	Methyl 3-nitrobenzoate
OR21315-01	Methyl 2-nitrobenzoate
OR30249-01	Methyl 3-methyl-4-nitrobenzoate
HUA31123	Methyl 3-methyl-5-nitrobenzoate
OR110363	Methyl 4-methyl-3-nitrobenzoate
RG-M200874-01	Methyl 2-Methyl-6-Nitrobenzoate
abx182527-01	Methyl 2-methyl-4-nitrobenzoate
OR40553-01	Methyl 2-methyl-5-nitrobenzoate