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Home > Nitro Compounds > 1005341-95-6
1005341-95-6 | [1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
CAS No: 1005341-95-6 Catalog No: AG01B4RI MDL No:MFCD30180947
Product Description
Catalog Number:
AG01B4RI
Chemical Name:
[1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
CAS Number:
1005341-95-6
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD30180947
IUPAC Name:
[1-(4-nitrophenyl)pyrrolidin-2-yl]methyl prop-2-enoate
InChI:
InChI=1S/C14H16N2O4/c1-2-14(17)20-10-13-4-3-9-15(13)11-5-7-12(8-6-11)16(18)19/h2,5-8,13H,1,3-4,9-10H2
InChI Key:
HCVPUFHAWIINEQ-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCC1CCCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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