AG003JTC

555-68-0 | 3-Nitrocinnamic acid

AG003JTC

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CAS Number	555-68-0
Catalog Number	AG003JTC(AGN-PC-0JL8FP)
Chemical Name	3-Nitrocinnamic acid
EC Number	209-104-2
IUPAC Name	(E)-3-(3-nitrophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChI Key	WWXMVRYHLZMQIG-SNAWJCMRSA-N
MDL Number	MFCD00007277
Molecular Formula	C9H7NO4
Molecular Weight	193.1562
SMILES	C(=CC(=O)O)c1cc(N(=O)=O)ccc1
UNII	Z5WU65J930
Synonyms	3-nitrobenzenepropenoic acid, Cinnamic acid, m-nitro-, m-nitrocinnamic acid, 3-Nitrocinnamic acid, m-Nitrocinnamic acid, 555-68-0, 3-nitro-cinnamic acid, Cinnamic acid, m-nitro, trans-3-Nitrocinnamic acid, 3-Nitrobenzenepropenoic acid, (E)-3-(3-Nitrophenyl)-2-propenoic acid, (2E)-3-(3-nitrophenyl)prop-2-enoic acid, 1772-76-5, (2E)-3-(3-nitrophenyl)acrylic acid, UNII-Z5WU65J930, 3-(3-nitrophenyl)acrylic acid, CCRIS 1667, NSC 5408, Cinnamic acid, m-nitro-, 2-Propenoic acid, 3-(3-nitrophenyl)-, EINECS 209-104-2, (E)-3-(3-nitrophenyl)prop-2-enoic acid, AI3-08847, CHEBI:60706, WWXMVRYHLZMQIG-SNAWJCMRSA-N, 2-Propenoic acid, 3-(3-nitrophenyl)-, (2E)-, Z5WU65J930, 3-(3-Nitrophenyl)-2-propenoic acid, trans-3-(3-Nitrophenyl)acrylic acid, AE-641/00365054, Q-102027, 3-{3-nitrophenyl}acrylic acid, 3-Nitrocinnamicacid, 3-[3-Nitrophenyl]-2-propenoic acid, PubChem8232, 3'-nitrocinnamic acid, AC1LEJB8, 3-Nitrobenzeneacrylic acid, AC1Q1ZU4, 2-Propenoic acid, 3-(3-nitrophenyl)-, (E)-, SCHEMBL426380, ARONIS013881, CHEMBL1771753, DTXSID8060298, WWXMVRYHLZMQIG-SNAWJCMRSA-, ZINC54929, trans-3-Nitrocinnamic acid, 97%, ACT05715, ALBB-011730, BCP21452, ZX-AN010547, ZX-AT009332, BBL007574, MFCD00007277, OR6582, SBB016644, STK364573, (E)-3-(3-nitrophenyl)-acrylic acid, AKOS000120318, ACM1772765, FCH2251885, FCH4121126, MS-9821, RTR-033547, NCGC00337835-01, AC-10325, AJ-09210, AK-48338, LS-54156, SC-46920, ST002321, AB0008359, AB1003016, AX8021442, BB0290789, TL8003625, TR-033547, N0354, R1169, ST24022970, AB01330059-02, J-011266, S04-0047, F3284-7995, InChI=1/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+, C9H7NO4, (E)-3-(3-nitrophenyl)acrylic acid, Cinnamic acid, m-nitro-, (E)-, C9-H7-N-O4, AR-1E6681, CID687126, 3-(3-nitrophenyl)prop-2-enoic acid, R135, trans-3-Nitrocinnamic acid, 99% - 100g 100g, 57116-02-6,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	193.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.158g/mol
Monoisotopic Mass	193.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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