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Home > Other Heterocycles > 889944-57-4
889944-57-4 | 6-oxospiro[3.3]heptane-2-...
CAS No: 889944-57-4 Catalog No: AG00H0XP MDL No:MFCD08436470
Product Description
Catalog Number:
AG00H0XP
Chemical Name:
6-oxospiro[3.3]heptane-2-...
CAS Number:
889944-57-4
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD08436470
IUPAC Name:
2-oxospiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)
InChI Key:
FGDRQRQOJRZARK-UHFFFAOYSA-N
SMILES:
O=C1CC2(C1)CC(C2)C(=O)O
Properties
Complexity:
216
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:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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