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89056-27-9 | Cyclobutanecarboxylicacid, 1-(2-butyn-1-yl)-
CAS No: 89056-27-9 Catalog No: AG0041D8 MDL No:
Product Description
Catalog Number:
AG0041D8
Chemical Name:
Cyclobutanecarboxylicacid, 1-(2-butyn-1-yl)-
CAS Number:
89056-27-9
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
1-but-2-ynylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C9H12O2/c1-2-3-5-9(8(10)11)6-4-7-9/h4-7H2,1H3,(H,10,11)
InChI Key:
JPXHMRALTINDNM-UHFFFAOYSA-N
SMILES:
CC#CCC1(CCC1)C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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