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100742-32-3 | 2H-1-Benzopyran-2-one, 7-methoxy-3-(3-methyl-2-buten-1-yl)-
CAS No: 100742-32-3 Catalog No: AG0002R1 MDL No:
Product Description
Catalog Number:
AG0002R1
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-3-(3-methyl-2-buten-1-yl)-
CAS Number:
100742-32-3
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one
InChI:
InChI=1S/C15H16O3/c1-10(2)4-5-12-8-11-6-7-13(17-3)9-14(11)18-15(12)16/h4,6-9H,5H2,1-3H3
InChI Key:
PENBKJQHRGRFQC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2)CC=C(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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