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2487-97-0 | Benzene, 1-isocyanato-4-(2-propen-1-yloxy)-
CAS No: 2487-97-0 Catalog No: AG002PPP MDL No:
Product Description
Catalog Number:
AG002PPP
Chemical Name:
Benzene, 1-isocyanato-4-(2-propen-1-yloxy)-
CAS Number:
2487-97-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
1-isocyanato-4-prop-2-enoxybenzene
InChI:
InChI=1S/C10H9NO2/c1-2-7-13-10-5-3-9(4-6-10)11-8-12/h2-6H,1,7H2
InChI Key:
BJAGTVTYPWCVQA-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)N=C=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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