Home Other Building Blocks 4-METHOXY-2-NITROBENZYL ALCOHOL

4-METHOXY-2-NITROBENZYL ALCOHOL

CAS No.:
22996-23-2
Catalog Number:
AG00BEDQ
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG00BEDQ
Chemical Name:
4-METHOXY-2-NITROBENZYL ALCOHOL
CAS Number:
22996-23-2
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD05148477
IUPAC Name:
(4-methoxy-2-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
DDVFIARESYCFKS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])CO
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties