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89056-34-8 | Cyclobutanecarboxylic acid, 1-(2-butynyl)-, methyl ester
CAS No: 89056-34-8 Catalog No: AG00429K MDL No:
Product Description
Catalog Number:
AG00429K
Chemical Name:
Cyclobutanecarboxylic acid, 1-(2-butynyl)-, methyl ester
CAS Number:
89056-34-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
methyl 1-but-2-ynylcyclobutane-1-carboxylate
InChI:
InChI=1S/C10H14O2/c1-3-4-6-10(7-5-8-10)9(11)12-2/h5-8H2,1-2H3
InChI Key:
NZLUMAURWDONCO-UHFFFAOYSA-N
SMILES:
CC#CCC1(CCC1)C(=O)OC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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