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828271-48-3 | Cyclobutanecarboxylic acid, 3-butyl-, methyl ester
CAS No: 828271-48-3 Catalog No: AG004WYK MDL No:
Product Description
Catalog Number:
AG004WYK
Chemical Name:
Cyclobutanecarboxylic acid, 3-butyl-, methyl ester
CAS Number:
828271-48-3
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
methyl 3-butylcyclobutane-1-carboxylate
InChI:
InChI=1S/C10H18O2/c1-3-4-5-8-6-9(7-8)10(11)12-2/h8-9H,3-7H2,1-2H3
InChI Key:
ADSLRPGEQLUFGR-UHFFFAOYSA-N
SMILES:
CCCCC1CC(C1)C(=O)OC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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