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87712-21-8 | Cyclobutanecarbonitrile, 3,3-dimethoxy-
CAS No: 87712-21-8 Catalog No: AG004GHS MDL No:
Product Description
Catalog Number:
AG004GHS
Chemical Name:
Cyclobutanecarbonitrile, 3,3-dimethoxy-
CAS Number:
87712-21-8
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
3,3-dimethoxycyclobutane-1-carbonitrile
InChI:
InChI=1S/C7H11NO2/c1-9-7(10-2)3-6(4-7)5-8/h6H,3-4H2,1-2H3
InChI Key:
ZJCVOVPNRHOYJE-UHFFFAOYSA-N
SMILES:
COC1(OC)CC(C1)C#N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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