2-(3-carboxyprop-2-enamido)-5-nitrobenzoic acid, 95%

Name: 2-(3-carboxyprop-2-enamido)-5-nitrobenzoic acid
Brand: Chempure

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CAS Number

1807940-70-0

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IUPAC name	2-[[(E)-3-carboxyprop-2-enoyl]amino]-5-nitrobenzoic acid
inchi	InChI=1S/C11H8N2O7/c14-9(3-4-10(15)16)12-8-2-1-6(13(19)20)5-7(8)11(17)18/h1-5H,(H,12,14)(H,15,16)(H,17,18)/b4-3+
inchi key	RRPTXYQMIDPGEW-ONEGZZNKSA-N
molecular formula	C11H8N2O7
synonyms	2-(3-Carboxyprop-2-enamido)-5-nitrobenzoic acid 1807940-70-0 2-[[(E)-3-carboxyprop-2-enoyl]amino]-5-nitrobenzoic acid EN300-190519 G47873

Computed Properties

Molecular Weight:	280.19 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	4
Exact Mass:	280.03315060 g/mol
Monoisotopic Mass:	280.03315060 g/mol
Topological Polar Surface Area:	150 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	454
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: BO7868

2-(3-carboxyprop-2-enamido)-5-nitrobenzoic acid, 95%

Product No: BO7868

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