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Home > Nitro Compounds > 70978-40-4
70978-40-4 | 1-(2-HYDROXY-5-METHYL-3-NITROPHENYL)PROPAN-1-ONE
CAS No: 70978-40-4 Catalog No: AG005PE1 MDL No:
Product Description
Catalog Number:
AG005PE1
Chemical Name:
1-(2-HYDROXY-5-METHYL-3-NITROPHENYL)PROPAN-1-ONE
CAS Number:
70978-40-4
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
1-(2-hydroxy-5-methyl-3-nitrophenyl)propan-1-one
InChI:
InChI=1S/C10H11NO4/c1-3-9(12)7-4-6(2)5-8(10(7)13)11(14)15/h4-5,13H,3H2,1-2H3
InChI Key:
CBYZMXQAOPOQBI-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C)cc(c1O)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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