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Home > Nitro Compounds > 100278-67-9
100278-67-9 | Phenol, 3-methyl-6-nitro-2-(2-propen-1-yl)-
CAS No: 100278-67-9 Catalog No: AG0001G9 MDL No:
Product Description
Catalog Number:
AG0001G9
Chemical Name:
Phenol, 3-methyl-6-nitro-2-(2-propen-1-yl)-
CAS Number:
100278-67-9
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
3-methyl-6-nitro-2-prop-2-enylphenol
InChI:
InChI=1S/C10H11NO3/c1-3-4-8-7(2)5-6-9(10(8)12)11(13)14/h3,5-6,12H,1,4H2,2H3
InChI Key:
KYYGFZNFUJIJPP-UHFFFAOYSA-N
SMILES:
C=CCc1c(C)ccc(c1O)[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:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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