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74192-56-6 | 6-methoxybenzo[pqr]tetraphen-12-ol
CAS No: 74192-56-6 Catalog No: AG005DE1 MDL No:
Product Description
Catalog Number:
AG005DE1
Chemical Name:
6-methoxybenzo[pqr]tetraphen-12-ol
CAS Number:
74192-56-6
Molecular Formula:
C21H14O2
Molecular Weight:
298.3347
IUPAC Name:
6-methoxybenzo[a]pyren-12-ol
InChI:
InChI=1S/C21H14O2/c1-23-21-14-7-3-2-6-13(14)17-11-18(22)15-8-4-5-12-9-10-16(21)20(17)19(12)15/h2-11,22H,1H3
InChI Key:
FCYVBFLGBWWBRU-UHFFFAOYSA-N
SMILES:
COc1c2ccccc2c2c3c1ccc1c3c(c(c2)O)ccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.341g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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