3-Amino-5-cyanobenzoic acid, >97%

Name: 3-Amino-5-cyanobenzoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1000341-18-3

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About this item

IUPAC name	3-amino-5-cyanobenzoic acid
inchi	InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)
inchi key	CCWVOHSNQZFXQU-UHFFFAOYSA-N
molecular formula	C8H6N2O2
synonyms	3-AMINO-5-CYANOBENZOIC ACID 1000341-18-3 Benzoic acid, 3-amino-5-cyano- SCHEMBL13674520 DTXSID701310582

Computed Properties

Molecular Weight:	162.15 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	162.042927438 g/mol
Monoisotopic Mass:	162.042927438 g/mol
Topological Polar Surface Area:	87.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	231
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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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AW9677

3-Amino-5-cyanobenzoic acid, >97%

Product No: AW9677

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Product No: AW9677

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Require a Sample Certificate of Analysis (COA) ?