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5604-95-5 | Cubane-1,3-dicarboxylic acid
CAS No: 5604-95-5 Catalog No: AG01FHDO MDL No:
Product Description
Catalog Number:
AG01FHDO
Chemical Name:
Cubane-1,3-dicarboxylic acid
CAS Number:
5604-95-5
IUPAC Name:
cubane-1,3-dicarboxylic acid
InChI:
InChI=1S/C10H8O4/c11-7(12)9-3-1-4-2(3)6(9)10(4,5(1)9)8(13)14/h1-6H,(H,11,12)(H,13,14)
InChI Key:
DAXBGIYGYSEKEH-UHFFFAOYSA-N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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