200,000+ products from a single source!
sales@angenechem.com
80706-65-6 | 1-Oxaspiro[2.2]pentan-2-ol, 2-methyl-, benzoate
CAS No: 80706-65-6 Catalog No: AG005JRV MDL No:
Product Description
Catalog Number:
AG005JRV
Chemical Name:
1-Oxaspiro[2.2]pentan-2-ol, 2-methyl-, benzoate
CAS Number:
80706-65-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
benzoic acid;2-methyl-1-oxaspiro[2.2]pentan-2-ol
InChI:
InChI=1S/C7H6O2.C5H8O2/c8-7(9)6-4-2-1-3-5-6;1-4(6)5(7-4)2-3-5/h1-5H,(H,8,9);6H,2-3H2,1H3
InChI Key:
POZJRASWSWDPQX-UHFFFAOYSA-N
SMILES:
CC1(O)OC21CC2.OC(=O)c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.