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Home > Nitro Compounds > 136859-09-1
136859-09-1 | 2-Naphthalenol, 5,6,7,8-tetrahydro-5-(3-nitropropyl)-
CAS No: 136859-09-1 Catalog No: AG0012HI MDL No:
Product Description
Catalog Number:
AG0012HI
Chemical Name:
2-Naphthalenol, 5,6,7,8-tetrahydro-5-(3-nitropropyl)-
CAS Number:
136859-09-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
5-(3-nitropropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
InChI:
InChI=1S/C13H17NO3/c15-12-6-7-13-10(5-2-8-14(16)17)3-1-4-11(13)9-12/h6-7,9-10,15H,1-5,8H2
InChI Key:
MNPVILFMWDQVAV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCCC1CCCc2c1ccc(c2)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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