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85407-65-4 | Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid
CAS No: 85407-65-4 Catalog No: AG01FHDP MDL No:
Product Description
Catalog Number:
AG01FHDP
Chemical Name:
Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid
CAS Number:
85407-65-4
IUPAC Name:
bicyclo[2.1.1]hexane-1,4-dicarboxylic acid
InChI:
InChI=1S/C8H10O4/c9-5(10)7-1-2-8(3-7,4-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChI Key:
PIFLRCNRXDHGOK-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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