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

CAS No.
56531-56-7
CCD No.
CCD00081883
Formula
C18 H22 O3
MolWeight
286.369

Basic Information

Product Name: 3-(4-METHOXYPHENYL)ADAMANTANE-1-CARBOXYLIC ACID
CAS: 56531-56-7
English Synonyms: 3-(4-METHOXYPHENYL)ADAMANTANE-1-CARBOXYLIC ACID ; TRICYCLO[3.3.1.1'-3,7']DECANE-1-CARBOXYLIC ACID, 3-(4-METHOXYPHENYL)-
MDL Number.: MFCD00167858
H bond acceptor: 3
H bond donor: 1
Smile: COc1ccc(cc1)[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)C(=O)O
InChi: InChI=1S/C18H22O3/c1-21-15-4-2-14(3-5-15)17-7-12-6-13(8-17)10-18(9-12,11-17)16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20)/t12-,13+,17+,18-
InChiKey: InChIKey=WFABACNPVFIEPX-VUWOVVPOSA-N