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848821-06-7 | 4-Cyanotetrahydro-2H-pyran-4-carboxylic acid
CAS No: 848821-06-7 Catalog No: AG004QFZ MDL No:MFCD09800426
Product Description
Catalog Number:
AG004QFZ
Chemical Name:
4-Cyanotetrahydro-2H-pyran-4-carboxylic acid
CAS Number:
848821-06-7
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD09800426
IUPAC Name:
4-cyanooxane-4-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-4H2,(H,9,10)
InChI Key:
RCLMLYLFDJEUJY-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)C(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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