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8-Methoxy-4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one

HCID 178796136
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Basic information

CAS
500203-92-9
Standard SMILES
COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(C)=O)ccc12
InChIKey
WLSQXTXWAGLNLY-UHFFFAOYSA-N
Molecular formula
C18H16O5
Average molar mass
312.3 g/mol

Names & identifiers

Preferred name
8-Methoxy-4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one
IUPAC
8-methoxy-4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one
English name
8-methoxy-4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one
Molecular formula
C18H16O5
Molecular weight
312.32

Names & synonyms

8-methoxy-4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one500203-92-98-methoxy-4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-oneNSC757953STK829347AKOS005613790NSC-757953SR-01000259545SR-01000259545-16H-Dibenzo[b,d]pyran-6-one, 8-methoxy-4-methyl-3-(2-oxopropoxy)-

Database identifiers

CAS
500203-92-9

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
462

Physicochemical properties

Melting point
158 °C · 158 °C(Solv: isopropanol (67-63-0))
Boiling point
507.8 · 507.8±50.0 °C(Predicted)
Density
1.259 · 1.259±0.06 g/cm3(Predicted)

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