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18087-10-0 | 4,5-dimethyl-2-nitrophenol
CAS No: 18087-10-0 Catalog No: AG00KKAV MDL No:MFCD15527214
Product Description
Catalog Number:
AG00KKAV
Chemical Name:
4,5-dimethyl-2-nitrophenol
CAS Number:
18087-10-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD15527214
IUPAC Name:
4,5-dimethyl-2-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4,10H,1-2H3
InChI Key:
KGDIYDUZVHFMHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1O)C
NSC Number:
408681
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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