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828271-34-7 | Cyclobutanecarboxylic acid, 3-butyl-1-formyl-, methyl ester
CAS No: 828271-34-7 Catalog No: AG0055TL MDL No:
Product Description
Catalog Number:
AG0055TL
Chemical Name:
Cyclobutanecarboxylic acid, 3-butyl-1-formyl-, methyl ester
CAS Number:
828271-34-7
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
methyl 3-butyl-1-formylcyclobutane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-3-4-5-9-6-11(7-9,8-12)10(13)14-2/h8-9H,3-7H2,1-2H3
InChI Key:
WYEKAJSTOXYOFA-UHFFFAOYSA-N
SMILES:
CCCCC1CC(C1)(C=O)C(=O)OC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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