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Home > Nitro Compounds > 872188-86-8
872188-86-8 | 3-Butyn-1-ol, 4-(3-nitrophenyl)-
CAS No: 872188-86-8 Catalog No: AG004JE4 MDL No:
Product Description
Catalog Number:
AG004JE4
Chemical Name:
3-Butyn-1-ol, 4-(3-nitrophenyl)-
CAS Number:
872188-86-8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
4-(3-nitrophenyl)but-3-yn-1-ol
InChI:
InChI=1S/C10H9NO3/c12-7-2-1-4-9-5-3-6-10(8-9)11(13)14/h3,5-6,8,12H,2,7H2
InChI Key:
ZPLYZUOJZSPUCG-UHFFFAOYSA-N
SMILES:
OCCC#Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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