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21535-97-7 | 3-Methyl-1-benzofuran
CAS No: 21535-97-7 Catalog No: AG003JOG MDL No:MFCD00205641
Product Description
Catalog Number:
AG003JOG
Chemical Name:
3-Methyl-1-benzofuran
CAS Number:
21535-97-7
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
MDL Number:
MFCD00205641
IUPAC Name:
3-methyl-1-benzofuran
InChI:
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
InChI Key:
ZRXHLJNBNWVNIM-UHFFFAOYSA-N
SMILES:
Cc1coc2c1cccc2
EC Number:
244-427-2
UNII:
912RQB3DCW
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.162g/mol
Monoisotopic Mass:
132.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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