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115237-37-1

115237-37-1 | 4H-1-Benzopyran-4-one, 3-[(1E)-2-phenylethenyl]-

CAS No: 115237-37-1 Catalog No: AG000GHX MDL No:

Product Description

Catalog Number:
AG000GHX
Chemical Name:
4H-1-Benzopyran-4-one, 3-[(1E)-2-phenylethenyl]-
CAS Number:
115237-37-1
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
3-(2-phenylethenyl)chromen-4-one
InChI:
InChI=1S/C17H12O2/c18-17-14(11-10-13-6-2-1-3-7-13)12-19-16-9-5-4-8-15(16)17/h1-12H
InChI Key:
OJOZCFQKBIPBPF-UHFFFAOYSA-N
SMILES:
O=c1c(/C=C/c2ccccc2)coc2c1cccc2

Properties

Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.8  

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