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132356-39-9 | 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2-methyl-
CAS No: 132356-39-9 Catalog No: AG0010LB MDL No:
Product Description
Catalog Number:
AG0010LB
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2-methyl-
CAS Number:
132356-39-9
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
2-methyl-2H-pyrano[3,2-c]chromen-5-one
InChI:
InChI=1S/C13H10O3/c1-8-6-7-10-12(15-8)9-4-2-3-5-11(9)16-13(10)14/h2-8H,1H3
InChI Key:
TXMZNAABXMUEFN-UHFFFAOYSA-N
SMILES:
CC1C=Cc2c(O1)c1ccccc1oc2=O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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