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Home > Nitro Compounds > 94370-97-5
94370-97-5 | 1,3-Dioxolane, 2,2-dimethyl-4-(2-nitroethyl)-, (S)-
CAS No: 94370-97-5 Catalog No: AG00H7SY MDL No:
Product Description
Catalog Number:
AG00H7SY
Chemical Name:
1,3-Dioxolane, 2,2-dimethyl-4-(2-nitroethyl)-, (S)-
CAS Number:
94370-97-5
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
IUPAC Name:
2,2-dimethyl-4-(2-nitroethyl)-1,3-dioxolane
InChI:
InChI=1S/C7H13NO4/c1-7(2)11-5-6(12-7)3-4-8(9)10/h6H,3-5H2,1-2H3
InChI Key:
XJZDGGSLGJBVJX-UHFFFAOYSA-N
SMILES:
CC1(C)OC[C@@H](O1)CC[N+](=O)[O-]
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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