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1138480-98-4 | Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester
CAS No: 1138480-98-4 Catalog No: AG0009VX MDL No:MFCD20922770
Product Description
Catalog Number:
AG0009VX
Chemical Name:
Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester
CAS Number:
1138480-98-4
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD20922770
IUPAC Name:
methyl 2-oxospiro[3.3]heptane-6-carboxylate
InChI:
InChI=1S/C9H12O3/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6H,2-5H2,1H3
InChI Key:
KPVYGLFZWUGNOJ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2(C1)CC(=O)C2
Properties
Complexity:
228
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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