3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLIC ACID

CAS No.
7123-76-4
CCD No.
CCD00089188
Formula
C17 H19 N O4
MolWeight
301.34

Basic Information

Product Name: 3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLIC ACID
CAS: 7123-76-4
English Synonyms: TRICYCLO[3.3.1.1(3,7)]DECANE-1-CARBOXYLIC ACID, 3-(4-NITROPHENYL)- ; 3-(4-NITROPHENYL)ADAMANTAN-1-CARBOXYLIC ACID ; 3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLIC ACID ; 3-(4-NITROPHENYL)-1-ADAMANTANECARBOXYLIC ACID
MDL Number.: MFCD00188065
H bond acceptor: 5
H bond donor: 1
Smile: c1cc(ccc1[C@]23C[C@@H]4C[C@H](C2)C[C@@](C4)(C3)C(=O)O)[N+](=O)[O-]
InChi: InChI=1S/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)/t11-,12+,16+,17-
InChiKey: InChIKey=JGYFFTQRRDPOIR-PRRDBKRISA-N

Property

Comments: WARNINGS: IRRITANT

Safety information

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