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95332-61-9 | 3-Pentenoic acid, 2-iodo-5-nitro-, methyl ester
CAS No: 95332-61-9 Catalog No: AG0065KN MDL No:
Product Description
Catalog Number:
AG0065KN
Chemical Name:
3-Pentenoic acid, 2-iodo-5-nitro-, methyl ester
CAS Number:
95332-61-9
Molecular Formula:
C6H8INO4
Molecular Weight:
285.0365
IUPAC Name:
methyl 2-iodo-5-nitropent-3-enoate
InChI:
InChI=1S/C6H8INO4/c1-12-6(9)5(7)3-2-4-8(10)11/h2-3,5H,4H2,1H3
InChI Key:
QYEBXYBOUQJHRU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC=CC(C(=O)OC)I
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.037g/mol
Monoisotopic Mass:
284.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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