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Home > Nitro Compounds > 885951-98-4
885951-98-4 | 2-Ethynyl-4-nitrophenol
CAS No: 885951-98-4 Catalog No: AG00IF8P MDL No:MFCD02181127
Product Description
Catalog Number:
AG00IF8P
Chemical Name:
2-Ethynyl-4-nitrophenol
CAS Number:
885951-98-4
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD02181127
IUPAC Name:
2-ethynyl-4-nitrophenol
InChI:
InChI=1S/C8H5NO3/c1-2-6-5-7(9(11)12)3-4-8(6)10/h1,3-5,10H
InChI Key:
UIGDPJSERRIBOZ-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1O)[N+](=O)[O-]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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