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Home > Nitro Compounds > 77123-62-7
77123-62-7 | 2-Methoxy-5-nitrophenylacetylene
CAS No: 77123-62-7 Catalog No: AG00ICSM MDL No:MFCD11656154
Product Description
Catalog Number:
AG00ICSM
Chemical Name:
2-Methoxy-5-nitrophenylacetylene
CAS Number:
77123-62-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD11656154
IUPAC Name:
2-ethynyl-1-methoxy-4-nitrobenzene
InChI:
InChI=1S/C9H7NO3/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h1,4-6H,2H3
InChI Key:
CBPBUPVYLMUBQH-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1OC)[N+](=O)[O-]
Properties
Complexity:
237
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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