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2618-43-1 | 3H-2-Benzopyran-3-one, 5,6,7,8-tetrahydro-1-methyl-
CAS No: 2618-43-1 Catalog No: AG002S45 MDL No:
Product Description
Catalog Number:
AG002S45
Chemical Name:
3H-2-Benzopyran-3-one, 5,6,7,8-tetrahydro-1-methyl-
CAS Number:
2618-43-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
1-methyl-5,6,7,8-tetrahydroisochromen-3-one
InChI:
InChI=1S/C10H12O2/c1-7-9-5-3-2-4-8(9)6-10(11)12-7/h6H,2-5H2,1H3
InChI Key:
BPEIFXWBVOGXFD-UHFFFAOYSA-N
SMILES:
O=c1cc2CCCCc2c(o1)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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