Home Nitros (2-Methyl-6-nitrophenyl)methanol

(2-Methyl-6-nitrophenyl)methanol

CAS No.:
54915-41-2
Catalog Number:
AG00DLPK
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG00DLPK
Chemical Name:
(2-Methyl-6-nitrophenyl)methanol
CAS Number:
54915-41-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12031847
IUPAC Name:
(2-methyl-6-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-3-2-4-8(9(11)12)7(6)5-10/h2-4,10H,5H2,1H3
InChI Key:
LIUYFMADDYMHLM-UHFFFAOYSA-N
SMILES:
OCc1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
166  
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:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties