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1443279-11-5 | 3-METHOXY-4-(4-METHYL-2-NITRO-BENZYLOXY)-BENZALDEHYDE
CAS No: 1443279-11-5 Catalog No: AG01AORU MDL No:MFCD25949439
Product Description
Catalog Number:
AG01AORU
Chemical Name:
3-METHOXY-4-(4-METHYL-2-NITRO-BENZYLOXY)-BENZALDEHYDE
CAS Number:
1443279-11-5
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
MDL Number:
MFCD25949439
IUPAC Name:
3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C16H15NO5/c1-11-3-5-13(14(7-11)17(19)20)10-22-15-6-4-12(9-18)8-16(15)21-2/h3-9H,10H2,1-2H3
InChI Key:
ZZPFXHYRTATFFO-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OCc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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