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25016-02-8 | Benzaldehyde, 2-methoxy-5-nitro-
CAS No: 25016-02-8 Catalog No: AG002Q6C MDL No:MFCD02093683
Product Description
Catalog Number:
AG002Q6C
Chemical Name:
Benzaldehyde, 2-methoxy-5-nitro-
CAS Number:
25016-02-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD02093683
IUPAC Name:
2-methoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3
InChI Key:
YWVSKFXYEWMHEO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)[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:
1.6
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