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799818-04-5 | Phenol, 2-(1-aziridinyl)-
CAS No: 799818-04-5 Catalog No: AG004Z07 MDL No:
Product Description
Catalog Number:
AG004Z07
Chemical Name:
Phenol, 2-(1-aziridinyl)-
CAS Number:
799818-04-5
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
2-(aziridin-1-yl)phenol
InChI:
InChI=1S/C8H9NO/c10-8-4-2-1-3-7(8)9-5-6-9/h1-4,10H,5-6H2
InChI Key:
ZWYXPKBYGODXRA-UHFFFAOYSA-N
SMILES:
Oc1ccccc1N1CC1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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