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Home > Nitro Compounds > 93086-29-4
93086-29-4 | 2,2-dimethyl-4-nitro-3-phenylbutanal
CAS No: 93086-29-4 Catalog No: AG01A1B5 MDL No:MFCD22421788
Product Description
Catalog Number:
AG01A1B5
Chemical Name:
2,2-dimethyl-4-nitro-3-phenylbutanal
CAS Number:
93086-29-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD22421788
IUPAC Name:
2,2-dimethyl-4-nitro-3-phenylbutanal
InChI:
InChI=1S/C12H15NO3/c1-12(2,9-14)11(8-13(15)16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key:
RDPSRQAHEBIFRW-UHFFFAOYSA-N
SMILES:
O=CC(C(c1ccccc1)C[N+](=O)[O-])(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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