200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1855422-49-9
1855422-49-9 | 3-{7-oxabicyclo[2.2.1]heptan-2-yl}prop-2-ynoic acid
CAS No: 1855422-49-9 Catalog No: AG01DRH0 MDL No:MFCD31463788
Product Description
Catalog Number:
AG01DRH0
Chemical Name:
3-{7-oxabicyclo[2.2.1]heptan-2-yl}prop-2-ynoic acid
CAS Number:
1855422-49-9
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD31463788
IUPAC Name:
3-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-ynoic acid
InChI:
InChI=1S/C9H10O3/c10-9(11)4-1-6-5-7-2-3-8(6)12-7/h6-8H,2-3,5H2,(H,10,11)
InChI Key:
GERJWUCMYNSBKE-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC1CC2OC1CC2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.