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131384-94-6 | BICYCLO[4.2.0]OCTA-1,3,5,7-TETRAENE-7-CARBOXYLIC ACID
CAS No: 131384-94-6 Catalog No: AG000W2D MDL No:
Product Description
Catalog Number:
AG000W2D
Chemical Name:
BICYCLO[4.2.0]OCTA-1,3,5,7-TETRAENE-7-CARBOXYLIC ACID
CAS Number:
131384-94-6
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
IUPAC Name:
bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxylic acid
InChI:
InChI=1S/C9H6O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H,10,11)
InChI Key:
AASGLWBTIQEPOB-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2c1cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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