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Home > Nitro Compounds > 138916-38-8
138916-38-8 | 2-Pyrrolidinone, 1,3-dimethyl-3-(2-nitro-1-cyclohexen-1-yl)-, (3S)-
CAS No: 138916-38-8 Catalog No: AG0019TV MDL No:
Product Description
Catalog Number:
AG0019TV
Chemical Name:
2-Pyrrolidinone, 1,3-dimethyl-3-(2-nitro-1-cyclohexen-1-yl)-, (3S)-
CAS Number:
138916-38-8
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
(3S)-1,3-dimethyl-3-(2-nitrocyclohexen-1-yl)pyrrolidin-2-one
InChI:
InChI=1S/C12H18N2O3/c1-12(7-8-13(2)11(12)15)9-5-3-4-6-10(9)14(16)17/h3-8H2,1-2H3/t12-/m0/s1
InChI Key:
KLUHYCZRQFKQOB-LBPRGKRZSA-N
SMILES:
CN1CC[C@@](C1=O)(C)C1=C(CCCC1)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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