Home Other Building Blocks 1H-2-Benzopyran-1,4(3H)-dione, 3-(phenylmethylene)-

1H-2-Benzopyran-1,4(3H)-dione, 3-(phenylmethylene)-

CAS No.:
1681-79-4
Catalog Number:
AG001XT7
Molecular Formula:
C16H10O3
Molecular Weight:
250.2488
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Product Description
Catalog Number:
AG001XT7
Chemical Name:
1H-2-Benzopyran-1,4(3H)-dione, 3-(phenylmethylene)-
CAS Number:
1681-79-4
Molecular Formula:
C16H10O3
Molecular Weight:
250.2488
MDL Number:
MFCD13191687
IUPAC Name:
3-benzylideneisochromene-1,4-dione
InChI:
InChI=1S/C16H10O3/c17-15-12-8-4-5-9-13(12)16(18)19-14(15)10-11-6-2-1-3-7-11/h1-10H
InChI Key:
ARCIWVMRMBVNNX-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2)OC(=O)c2c1cccc2
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.063g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.253g/mol
Monoisotopic Mass:
250.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  
Properties