21247-98-3
6-(HYDROXYMETHYL)BENZO(A)PYRENE
Name6-(HYDROXYMETHYL)BENZO(A)PYRENE
1Identification
【Name】
6-(HYDROXYMETHYL)BENZO(A)PYRENE
【CAS】
【MDL】
MFCD01662965
【English Synonyms】
【Formula】
C21 H14 O
【MolWeight】
282.341
【Inchi】
InChI=1S/C21H14O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11,22H,12H2
【InChIKey】
InChIKey=FJQLVOHCPDYIFE-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c3ccc4cccc5c4c3c(c2CO)cc5
【MOL File】
6-(HYDROXYMETHYL)BEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(HYDROXYMETHYL)BENZO(A)PYRENE.cml