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16650-36-5 | 1H-Cyclopropa[a]naphthalene-1-carboxylic acid, 1a,7b-dihydro-
CAS No: 16650-36-5 Catalog No: AG001WSO MDL No:
Product Description
Catalog Number:
AG001WSO
Chemical Name:
1H-Cyclopropa[a]naphthalene-1-carboxylic acid, 1a,7b-dihydro-
CAS Number:
16650-36-5
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
1a,7b-dihydro-1H-cyclopropa[a]naphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O2/c13-12(14)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-6,9-11H,(H,13,14)
InChI Key:
OTXCMHYEZWZTPS-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1c1ccccc1C=C2
NSC Number:
256399
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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