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156329-73-6 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-chloro-
CAS No: 156329-73-6 Catalog No: AG001OOE MDL No:
Product Description
Catalog Number:
AG001OOE
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-chloro-
CAS Number:
156329-73-6
Molecular Formula:
C6H7ClO2
Molecular Weight:
146.5716
IUPAC Name:
3-chlorobicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C6H7ClO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)
InChI Key:
QEYKZNBKTNESNT-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)(C2)Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.57g/mol
Monoisotopic Mass:
146.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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