200,000+ products from a single source!
sales@angenechem.com
92736-74-8 | Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]-5-nitro-
CAS No: 92736-74-8 Catalog No: AG00615P MDL No:
Product Description
Catalog Number:
AG00615P
Chemical Name:
Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]-5-nitro-
CAS Number:
92736-74-8
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
2-(3-methylbut-2-enoxy)-5-nitrobenzaldehyde
InChI:
InChI=1S/C12H13NO4/c1-9(2)5-6-17-12-4-3-11(13(15)16)7-10(12)8-14/h3-5,7-8H,6H2,1-2H3
InChI Key:
YINSCOIBXAEJMG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCC=C(C)C)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.