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85739-45-3 | Bicyclo[4.1.0]heptane-1,6-dicarboxylic acid
CAS No: 85739-45-3 Catalog No: AG004S73 MDL No:
Product Description
Catalog Number:
AG004S73
Chemical Name:
Bicyclo[4.1.0]heptane-1,6-dicarboxylic acid
CAS Number:
85739-45-3
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
bicyclo[4.1.0]heptane-1,6-dicarboxylic acid
InChI:
InChI=1S/C9H12O4/c10-6(11)8-3-1-2-4-9(8,5-8)7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChI Key:
ZMEFMXQCMSTETF-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCCC2(C1)C(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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