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49678-08-2 | (E);-3-(4-Nitrophenyl);acrylaldehyde
CAS No: 49678-08-2 Catalog No: AG003LVE MDL No:MFCD00007379
Product Description
Catalog Number:
AG003LVE
Chemical Name:
(E);-3-(4-Nitrophenyl);acrylaldehyde
CAS Number:
49678-08-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00007379
IUPAC Name:
(E)-3-(4-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+
InChI Key:
ALGQVMMYDWQDEC-OWOJBTEDSA-N
SMILES:
O=C/C=C/c1ccc(cc1)[N+](=O)[O-]
EC Number:
217-076-8
UNII:
48R8LAM7YX
NSC Number:
1318
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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