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Home > Nitro Compounds > 78725-73-2
78725-73-2 | 1-(4-Nitrophenyl)prop-2-yn-1-ol
CAS No: 78725-73-2 Catalog No: AG0051L4 MDL No:MFCD09032690
Product Description
Catalog Number:
AG0051L4
Chemical Name:
1-(4-Nitrophenyl)prop-2-yn-1-ol
CAS Number:
78725-73-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09032690
IUPAC Name:
1-(4-nitrophenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C9H7NO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h1,3-6,9,11H
InChI Key:
PDUTVNAUVBKDTF-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)[N+](=O)[O-])C#C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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