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156329-75-8 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl-
CAS No: 156329-75-8 Catalog No: AG001OOD MDL No:
Product Description
Catalog Number:
AG001OOD
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl-
CAS Number:
156329-75-8
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
3-acetylbicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C8H10O3/c1-5(9)7-2-8(3-7,4-7)6(10)11/h2-4H2,1H3,(H,10,11)
InChI Key:
JUEOPDFUPZDVKM-UHFFFAOYSA-N
SMILES:
CC(=O)C12CC(C1)(C2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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