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29040-52-6 | Benzofuran, 6-methoxy-3-methyl-
CAS No: 29040-52-6 Catalog No: AG002VBE MDL No:
Product Description
Catalog Number:
AG002VBE
Chemical Name:
Benzofuran, 6-methoxy-3-methyl-
CAS Number:
29040-52-6
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
6-methoxy-3-methyl-1-benzofuran
InChI:
InChI=1S/C10H10O2/c1-7-6-12-10-5-8(11-2)3-4-9(7)10/h3-6H,1-2H3
InChI Key:
DDZKXTFBNJQQGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)occ2C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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