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Home > Nitro Compounds > 114915-56-9
114915-56-9 | Benzenemethanol, α-methylene-3-nitro-
CAS No: 114915-56-9 Catalog No: AG000FFS MDL No:
Product Description
Catalog Number:
AG000FFS
Chemical Name:
Benzenemethanol, α-methylene-3-nitro-
CAS Number:
114915-56-9
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
1-(3-nitrophenyl)ethenol
InChI:
InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,10H,1H2
InChI Key:
PAMULWAKIDFEAW-UHFFFAOYSA-N
SMILES:
OC(=C)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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