3-methoxy-4-methyl-5-nitrobenzoic acid, 95%

Name: 3-methoxy-4-methyl-5-nitrobenzoic acid
Brand: Chempure

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CAS Number

1002110-78-2

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About this item

IUPAC name	3-methoxy-4-methyl-5-nitrobenzoic acid
inchi	InChI=1S/C9H9NO5/c1-5-7(10(13)14)3-6(9(11)12)4-8(5)15-2/h3-4H,1-2H3,(H,11,12)
inchi key	JZBPCFNVEBZSTB-UHFFFAOYSA-N
molecular formula	C9H9NO5
synonyms	3-methoxy-4-methyl-5-nitrobenzoic acid 1002110-78-2 SCHEMBL2896874 JZBPCFNVEBZSTB-UHFFFAOYSA-N CQB11078

Computed Properties

Molecular Weight:	211.17 g/mol
XLogP3:	1.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	2
Exact Mass:	211.04807239 g/mol
Monoisotopic Mass:	211.04807239 g/mol
Topological Polar Surface Area:	92.4 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	262
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

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Product No: AX0927

3-methoxy-4-methyl-5-nitrobenzoic acid, 95%

Product No: AX0927

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