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79737-12-5 | tetraphene-5,6,7,8-tetrol
CAS No: 79737-12-5 Catalog No: AG00508E MDL No:
Product Description
Catalog Number:
AG00508E
Chemical Name:
tetraphene-5,6,7,8-tetrol
CAS Number:
79737-12-5
Molecular Formula:
C18H12O4
Molecular Weight:
292.2855
IUPAC Name:
benzo[a]anthracene-5,6,7,8-tetrol
InChI:
InChI=1S/C18H12O4/c19-13-7-3-4-9-8-12-10-5-1-2-6-11(10)16(20)18(22)15(12)17(21)14(9)13/h1-8,19-22H
InChI Key:
XLWPVLMYCVBNRU-UHFFFAOYSA-N
SMILES:
Oc1c2ccccc2c2c(c1O)c(O)c1c(c2)cccc1O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
292.29g/mol
Monoisotopic Mass:
292.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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