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AE-641/00135027 is available in 6772 mg

Compound details
MDL #:		MFCD00007381
Formula:		C9 H7 N O4
Weight:		193.16
Chiral info:		Not available
Name:		3-{4-nitrophenyl}acrylic acid
SMILES:		OC(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
InChI^TM:		InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)
InChIKey^TM:		XMMRNCHTDONGRJ-UHFFFAOYSA-N

Chemical properties calculations
LogP:	2.12	H-acceptors: 2
LogS:	-2.42	H-donors: 1
tPSA:	80.44 Å²	Rotatable bonds: 3

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