Home Other Building Blocks 3-(OXAN-3-YL)PROP-2-YNOIC ACID

3-(OXAN-3-YL)PROP-2-YNOIC ACID

CAS No.:
1339388-27-0
Catalog Number:
AG01CAF4
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
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Product Description
Catalog Number:
AG01CAF4
Chemical Name:
3-(OXAN-3-YL)PROP-2-YNOIC ACID
CAS Number:
1339388-27-0
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD20347379
IUPAC Name:
3-(oxan-3-yl)prop-2-ynoic acid
InChI:
InChI=1S/C8H10O3/c9-8(10)4-3-7-2-1-5-11-6-7/h7H,1-2,5-6H2,(H,9,10)
InChI Key:
NSMGNZVNBFQYHW-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC1CCCOC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties