57404-88-3
TRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE
NameTRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE
1Identification
【Name】
TRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE
【CAS】
【MDL】
MFCD00869770
【English Synonyms】
【Formula】
C20 H14 O2
【MolWeight】
286.329
【Inchi】
InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1
【InChIKey】
InChIKey=YDXRLMMGARHIIC-PXNSSMCTSA-N
【SMILES】
c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C=C[C@@H]([C@H]4O)O
【MOL File】
TRANS-7,8-DIHYDROXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE.cml