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870888-74-7 | 1-Naphthalenecarbonitrile, 4-(3,4-dihydroxy-1-pyrrolidinyl)-
CAS No: 870888-74-7 Catalog No: AG004UWF MDL No:
Product Description
Catalog Number:
AG004UWF
Chemical Name:
1-Naphthalenecarbonitrile, 4-(3,4-dihydroxy-1-pyrrolidinyl)-
CAS Number:
870888-74-7
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
4-(3,4-dihydroxypyrrolidin-1-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C15H14N2O2/c16-7-10-5-6-13(12-4-2-1-3-11(10)12)17-8-14(18)15(19)9-17/h1-6,14-15,18-19H,8-9H2
InChI Key:
ISANUUJYDZPIRB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1CC(C(C1)O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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