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13050-10-7 | 1,3-Dioxolane-2-heptanenitrile
CAS No: 13050-10-7 Catalog No: AG000UIN MDL No:
Product Description
Catalog Number:
AG000UIN
Chemical Name:
1,3-Dioxolane-2-heptanenitrile
CAS Number:
13050-10-7
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
7-(1,3-dioxolan-2-yl)heptanenitrile
InChI:
InChI=1S/C10H17NO2/c11-7-5-3-1-2-4-6-10-12-8-9-13-10/h10H,1-6,8-9H2
InChI Key:
ZLFUPRFUKVPDMV-UHFFFAOYSA-N
SMILES:
N#CCCCCCCC1OCCO1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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