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101139-75-7 | 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-[(2-hydroxyethyl)thio]-
CAS No: 101139-75-7 Catalog No: AG0003TE MDL No:MFCD00089485
Product Description
Catalog Number:
AG0003TE
Chemical Name:
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-[(2-hydroxyethyl)thio]-
CAS Number:
101139-75-7
Molecular Formula:
C14H10O4S
Molecular Weight:
274.2918
MDL Number:
MFCD00089485
IUPAC Name:
8-(2-hydroxyethylsulfanyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
InChI:
InChI=1S/C14H10O4S/c15-6-7-19-11-5-4-10-12-8(11)2-1-3-9(12)13(16)18-14(10)17/h1-5,15H,6-7H2
InChI Key:
GYDPRPZFQLDRHM-UHFFFAOYSA-N
SMILES:
OCCSc1ccc2c3c1cccc3C(=O)OC2=O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.29g/mol
Monoisotopic Mass:
274.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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