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80151-24-2 | 2-Propyn-1-ol,3-(2-nitrophenyl)-
CAS No: 80151-24-2 Catalog No: AG005CKE MDL No:
Product Description
Catalog Number:
AG005CKE
Chemical Name:
2-Propyn-1-ol,3-(2-nitrophenyl)-
CAS Number:
80151-24-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
3-(2-nitrophenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,7H2
InChI Key:
OIRSFUOXMBOZKG-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
245
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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