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132740-46-6 | Phenol, 4-(2-isocyanatoethyl)-
CAS No: 132740-46-6 Catalog No: AG00112Z MDL No:
Product Description
Catalog Number:
AG00112Z
Chemical Name:
Phenol, 4-(2-isocyanatoethyl)-
CAS Number:
132740-46-6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
4-(2-isocyanatoethyl)phenol
InChI:
InChI=1S/C9H9NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-4,12H,5-6H2
InChI Key:
UHZCPBRALDCPOD-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(cc1)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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