Home Carboxys 4-(prop-2-yn-1-yl)oxane-4-carboxylic acid

4-(prop-2-yn-1-yl)oxane-4-carboxylic acid

CAS No.:
1506435-40-0
Catalog Number:
AG01C3WN
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG01C3WN
Chemical Name:
4-(prop-2-yn-1-yl)oxane-4-carboxylic acid
CAS Number:
1506435-40-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD21921388
IUPAC Name:
4-prop-2-ynyloxane-4-carboxylic acid
InChI:
InChI=1S/C9H12O3/c1-2-3-9(8(10)11)4-6-12-7-5-9/h1H,3-7H2,(H,10,11)
InChI Key:
ANSBZRZMHXIJAV-UHFFFAOYSA-N
SMILES:
C#CCC1(CCOCC1)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties