Home Carboxys cyclohepta-2,4,6-triene-1-carboxylic acid

cyclohepta-2,4,6-triene-1-carboxylic acid

CAS No.:
4440-40-8
Catalog Number:
AG01BD6S
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
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Product Description
Catalog Number:
AG01BD6S
Chemical Name:
cyclohepta-2,4,6-triene-1-carboxylic acid
CAS Number:
4440-40-8
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD06208382
IUPAC Name:
cyclohepta-2,4,6-triene-1-carboxylic acid
InChI:
InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-7H,(H,9,10)
InChI Key:
MMJMJYGSJNZKBB-UHFFFAOYSA-N
SMILES:
OC(=O)C1C=CC=CC=C1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties