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85389-86-2 | 2H-1-Benzopyran-2-one, 7-butoxy-4-methyl-
CAS No: 85389-86-2 Catalog No: AG004OX7 MDL No:
Product Description
Catalog Number:
AG004OX7
Chemical Name:
2H-1-Benzopyran-2-one, 7-butoxy-4-methyl-
CAS Number:
85389-86-2
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
7-butoxy-4-methylchromen-2-one
InChI:
InChI=1S/C14H16O3/c1-3-4-7-16-11-5-6-12-10(2)8-14(15)17-13(12)9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
FIBWFIHURYJGEP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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