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130089-40-6 | 1H-2-Benzopyran, 1-phenyl-
CAS No: 130089-40-6 Catalog No: AG000TZQ MDL No:
Product Description
Catalog Number:
AG000TZQ
Chemical Name:
1H-2-Benzopyran, 1-phenyl-
CAS Number:
130089-40-6
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
IUPAC Name:
1-phenyl-1H-isochromene
InChI:
InChI=1S/C15H12O/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11,15H
InChI Key:
YSGUYPWSRXPJHB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1OC=Cc2c1cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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