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19689-88-4 | 2-METHOXY-6-NITRO-BENZALDEHYDE
CAS No: 19689-88-4 Catalog No: AG00ABD0 MDL No:MFCD07371505
Product Description
Catalog Number:
AG00ABD0
Chemical Name:
2-METHOXY-6-NITRO-BENZALDEHYDE
CAS Number:
19689-88-4
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD07371505
IUPAC Name:
2-methoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-5H,1H3
InChI Key:
NQCOCZQZPQKVGI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C=O)[N+](=O)[O-]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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