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126743-63-3 | 4H-Naphtho[2,1-c]pyran-4-one, 1,2-dihydro-2-methyl-
CAS No: 126743-63-3 Catalog No: AG000T6J MDL No:
Product Description
Catalog Number:
AG000T6J
Chemical Name:
4H-Naphtho[2,1-c]pyran-4-one, 1,2-dihydro-2-methyl-
CAS Number:
126743-63-3
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
IUPAC Name:
2-methyl-1,2-dihydrobenzo[f]isochromen-4-one
InChI:
InChI=1S/C14H12O2/c1-9-8-13-11-5-3-2-4-10(11)6-7-12(13)14(15)16-9/h2-7,9H,8H2,1H3
InChI Key:
BOEMTCOYIKFSEW-UHFFFAOYSA-N
SMILES:
CC1OC(=O)c2c(C1)c1ccccc1cc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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