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79694-88-5 | 2H-1-Benzopyran, 6-ethenyl-4-methoxy-2,2-dimethyl-
CAS No: 79694-88-5 Catalog No: AG005IML MDL No:
Product Description
Catalog Number:
AG005IML
Chemical Name:
2H-1-Benzopyran, 6-ethenyl-4-methoxy-2,2-dimethyl-
CAS Number:
79694-88-5
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
6-ethenyl-4-methoxy-2,2-dimethylchromene
InChI:
InChI=1S/C14H16O2/c1-5-10-6-7-12-11(8-10)13(15-4)9-14(2,3)16-12/h5-9H,1H2,2-4H3
InChI Key:
XRWDXWKXFWEYCB-UHFFFAOYSA-N
SMILES:
COC1=CC(C)(C)Oc2c1cc(C=C)cc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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