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Home > Nitro Compounds > 35781-36-3
35781-36-3 | 1-(4-methyl-3-nitrophenyl)ethan-1-ol
CAS No: 35781-36-3 Catalog No: AG019Z3M MDL No:MFCD12183777
Product Description
Catalog Number:
AG019Z3M
Chemical Name:
1-(4-methyl-3-nitrophenyl)ethan-1-ol
CAS Number:
35781-36-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD12183777
IUPAC Name:
1-(4-methyl-3-nitrophenyl)ethanol
InChI:
InChI=1S/C9H11NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5,7,11H,1-2H3
InChI Key:
AFEJLWMIIDXXMN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)[N+](=O)[O-])C)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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