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2-(3-nitrophenyl)propanedial

CAS No.:
136825-61-1
Catalog Number:
AG01EIND
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
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Product Description
Catalog Number:
AG01EIND
Chemical Name:
2-(3-nitrophenyl)propanedial
CAS Number:
136825-61-1
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD31617504
IUPAC Name:
2-(3-nitrophenyl)propanedial
InChI:
InChI=1S/C9H7NO4/c11-5-8(6-12)7-2-1-3-9(4-7)10(13)14/h1-6,8H
InChI Key:
CPTKEEFTDCSUBU-UHFFFAOYSA-N
SMILES:
O=CC(c1cccc(c1)[N+](=O)[O-])C=O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties