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88572-20-7 | 2H-Pyran-4-carbonitrile, tetrahydro-2-methyl-
CAS No: 88572-20-7 Catalog No: AG004BMP MDL No:MFCD19651718
Product Description
Catalog Number:
AG004BMP
Chemical Name:
2H-Pyran-4-carbonitrile, tetrahydro-2-methyl-
CAS Number:
88572-20-7
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD19651718
IUPAC Name:
2-methyloxane-4-carbonitrile
InChI:
InChI=1S/C7H11NO/c1-6-4-7(5-8)2-3-9-6/h6-7H,2-4H2,1H3
InChI Key:
FXTMJUSPCNZIDP-UHFFFAOYSA-N
SMILES:
N#CC1CCOC(C1)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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