Home Other Building Blocks 2-(4-cyanooxan-4-yl)acetic acid

2-(4-cyanooxan-4-yl)acetic acid

CAS No.:
1098432-97-3
Catalog Number:
AG01B4WJ
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG01B4WJ
Chemical Name:
2-(4-cyanooxan-4-yl)acetic acid
CAS Number:
1098432-97-3
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD30342649
IUPAC Name:
2-(4-cyanooxan-4-yl)acetic acid
InChI:
InChI=1S/C8H11NO3/c9-6-8(5-7(10)11)1-3-12-4-2-8/h1-5H2,(H,10,11)
InChI Key:
RPFNOTVPOGGITO-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)CC(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties