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123356-16-1 | Propanenitrile, 2-hydroxy-3-(1-naphthalenyloxy)-, (S)- (9CI)
CAS No: 123356-16-1 Catalog No: AG000KFU MDL No:
Product Description
Catalog Number:
AG000KFU
Chemical Name:
Propanenitrile, 2-hydroxy-3-(1-naphthalenyloxy)-, (S)- (9CI)
CAS Number:
123356-16-1
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-hydroxy-3-naphthalen-1-yloxypropanenitrile
InChI:
InChI=1S/C13H11NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,9H2
InChI Key:
OPPQGDXHVLRIAJ-UHFFFAOYSA-N
SMILES:
N#C[C@@H](COc1cccc2c1cccc2)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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