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Home > Nitro Compounds > 182682-20-8
182682-20-8 | 1,3-Dioxolane, 2,2-dimethyl-4-[(1E)-2-nitro-1-propen-1-yl]-, (4S)-
CAS No: 182682-20-8 Catalog No: AG00241P MDL No:
Product Description
Catalog Number:
AG00241P
Chemical Name:
1,3-Dioxolane, 2,2-dimethyl-4-[(1E)-2-nitro-1-propen-1-yl]-, (4S)-
CAS Number:
182682-20-8
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
(4S)-2,2-dimethyl-4-(2-nitroprop-1-enyl)-1,3-dioxolane
InChI:
InChI=1S/C8H13NO4/c1-6(9(10)11)4-7-5-12-8(2,3)13-7/h4,7H,5H2,1-3H3/t7-/m0/s1
InChI Key:
PCYHTTUIKGFHTO-ZETCQYMHSA-N
SMILES:
C/C(=C\[C@H]1COC(O1)(C)C)/[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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