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114451-27-3 | Chrysenooxirenediol, dihydromethyl- (9CI)
CAS No: 114451-27-3 Catalog No: AG000EFJ MDL No:
Product Description
Catalog Number:
AG000EFJ
Chemical Name:
Chrysenooxirenediol, dihydromethyl- (9CI)
CAS Number:
114451-27-3
Molecular Formula:
C19H14O3
Molecular Weight:
290.3127
IUPAC Name:
5-methyl-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2,7,9,12,14,16,18-octaene-3,4-diol
InChI:
InChI=1S/C19H14O3/c1-19-17(21)16(20)15-13-7-6-10-4-2-3-5-11(10)12(13)8-9-14(15)18(19)22-19/h2-9,17,20-21H,1H3
InChI Key:
FVINIWPYKMDGNU-UHFFFAOYSA-N
SMILES:
OC1C(=c2c(=C3C1(C)O3)ccc1c2ccc2c1cccc2)O
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.318g/mol
Monoisotopic Mass:
290.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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