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20357-24-8 | Benzaldehyde, 5-methoxy-2-nitro-
CAS No: 20357-24-8 Catalog No: AG0028ZO MDL No:MFCD00456498
Product Description
Catalog Number:
AG0028ZO
Chemical Name:
Benzaldehyde, 5-methoxy-2-nitro-
CAS Number:
20357-24-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00456498
IUPAC Name:
5-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3
InChI Key:
BNTDDWPHSMILHQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)ccc1[N+](=O)[O-]
NSC Number:
25207
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:
1.3
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