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6822-83-9 | 2H-1-Benzopyran-4-carboxaldehyde,7-methoxy-2-oxo-5-(phenylmethoxy)-
CAS No: 6822-83-9 Catalog No: AG006D2T MDL No:
Product Description
Catalog Number:
AG006D2T
Chemical Name:
2H-1-Benzopyran-4-carboxaldehyde,7-methoxy-2-oxo-5-(phenylmethoxy)-
CAS Number:
6822-83-9
Molecular Formula:
C18H14O5
Molecular Weight:
310.3008
IUPAC Name:
7-methoxy-2-oxo-5-phenylmethoxychromene-4-carbaldehyde
InChI:
InChI=1S/C18H14O5/c1-21-14-8-15(22-11-12-5-3-2-4-6-12)18-13(10-19)7-17(20)23-16(18)9-14/h2-10H,11H2,1H3
InChI Key:
ISMOGCPDRDVAAA-UHFFFAOYSA-N
SMILES:
COc1cc(OCc2ccccc2)c2c(c1)oc(=O)cc2C=O
NSC Number:
118813
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.305g/mol
Monoisotopic Mass:
310.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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