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1197-58-6 | Benzene, 1-(isocyanomethyl)-4-methoxy-
CAS No: 1197-58-6 Catalog No: AG000PHP MDL No:
Product Description
Catalog Number:
AG000PHP
Chemical Name:
Benzene, 1-(isocyanomethyl)-4-methoxy-
CAS Number:
1197-58-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
1-(isocyanomethyl)-4-methoxybenzene
InChI:
InChI=1S/C9H9NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,2H3
InChI Key:
WXZJSVUSIHPSQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[N+]#[C-]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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