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100162-11-6 | 2,4,6-Cyclooctatriene-1-carboxylic acid
CAS No: 100162-11-6 Catalog No: AG00014T MDL No:
Product Description
Catalog Number:
AG00014T
Chemical Name:
2,4,6-Cyclooctatriene-1-carboxylic acid
CAS Number:
100162-11-6
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
cycloocta-2,4,6-triene-1-carboxylic acid
InChI:
InChI=1S/C9H10O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-6,8H,7H2,(H,10,11)
InChI Key:
BOHBUILIWXCLNW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC=CC=CC=C1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
2.2
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