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17558-76-8 | Benzenamine, 4-(2-oxiranylmethoxy)-
CAS No: 17558-76-8 Catalog No: AG002120 MDL No:MFCD09414705
Product Description
Catalog Number:
AG002120
Chemical Name:
Benzenamine, 4-(2-oxiranylmethoxy)-
CAS Number:
17558-76-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD09414705
IUPAC Name:
4-(oxiran-2-ylmethoxy)aniline
InChI:
InChI=1S/C9H11NO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6,10H2
InChI Key:
ALBWDNPLQOJPCK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCC1OC1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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