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1002556-37-7 | 1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-1-methoxy-
CAS No: 1002556-37-7 Catalog No: AG0001DX MDL No:
Product Description
Catalog Number:
AG0001DX
Chemical Name:
1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-1-methoxy-
CAS Number:
1002556-37-7
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
1-methoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
InChI:
InChI=1S/C14H12O4/c1-17-14-11-10(6-7-18-14)12(15)8-4-2-3-5-9(8)13(11)16/h2-5,14H,6-7H2,1H3
InChI Key:
IEJHZUJTFKTQGN-UHFFFAOYSA-N
SMILES:
COC1OCCC2=C1C(=O)c1ccccc1C2=O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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