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methyl 3-formyl-4-nitrobenzoate

methyl 3-formyl-4-nitrobenzoate

CAS: 148625-35-8

Formula: C9H7NO5

SMILES: COC(=O)C1=CC(C=O)=C(C=C1)[N+]([O-])=O

IUPAC: methyl 3-formyl-4-nitrobenzoate

InChI: InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-5H,1H3

Composition: C (51.68%), H (3.37%), N (6.70%), O (38.25%)

Molar Mass: 209.157

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.032422329
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JHFSCEMUDKRPID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.99
Topological Polar Surface Area 86.51
Polarizability 18.66
Ring Count 1
Rotatable Bond Count 4

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