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Home > Other Heterocycles > 1823902-30-2
1823902-30-2 | 3-(Bicyclo[1.1.1]pentan-1-yl)benzoic acid
CAS No: 1823902-30-2 Catalog No: AG01FHB0 MDL No:
Product Description
Catalog Number:
AG01FHB0
Chemical Name:
3-(Bicyclo[1.1.1]pentan-1-yl)benzoic acid
CAS Number:
1823902-30-2
IUPAC Name:
3-(1-bicyclo[1.1.1]pentanyl)benzoic acid
InChI:
InChI=1S/C12H12O2/c13-11(14)9-2-1-3-10(4-9)12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14)
InChI Key:
WIVGLVPRPZMXHM-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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