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19013-07-1 | Ethanone, 1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS No: 19013-07-1 Catalog No: AG002ED2 MDL No:MFCD06200746
Product Description
Catalog Number:
AG002ED2
Chemical Name:
Ethanone, 1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS Number:
19013-07-1
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD06200746
IUPAC Name:
1-(2,2-dimethylchromen-6-yl)ethanone
InChI:
InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3
InChI Key:
ZAJTXVHECZCXLH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)C=CC(O2)(C)C
EC Number:
606-199-6
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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