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

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

CAS No.:
1934399-31-1
Catalog Number:
AG01DZ7U
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG01DZ7U
Chemical Name:
2-(prop-2-yn-1-yl)oxane-2-carboxylic acid
CAS Number:
1934399-31-1
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD31616304
IUPAC Name:
2-prop-2-ynyloxane-2-carboxylic acid
InChI:
InChI=1S/C9H12O3/c1-2-5-9(8(10)11)6-3-4-7-12-9/h1H,3-7H2,(H,10,11)
InChI Key:
MDFLTXJOTRVNMR-UHFFFAOYSA-N
SMILES:
C#CCC1(CCCCO1)C(=O)O
Properties
Complexity:
225  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties