200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 125229-13-2
125229-13-2 | Benzoic acid, 3-hydroxy-4-methyl-5-nitro-, methyl ester
CAS No: 125229-13-2 Catalog No: AG000NDD MDL No:
Product Description
Catalog Number:
AG000NDD
Chemical Name:
Benzoic acid, 3-hydroxy-4-methyl-5-nitro-, methyl ester
CAS Number:
125229-13-2
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
methyl 3-hydroxy-4-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-5-7(10(13)14)3-6(4-8(5)11)9(12)15-2/h3-4,11H,1-2H3
InChI Key:
RVLATZXOTOHQEW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.