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1160247-98-2 | Spiro[cyclohexane-1,3'-[3H]indole]-5'-carboxylic acid, 1',2'-dihydro-
CAS No: 1160247-98-2 Catalog No: AG000BF2 MDL No:MFCD12198653
Product Description
Catalog Number:
AG000BF2
Chemical Name:
Spiro[cyclohexane-1,3'-[3H]indole]-5'-carboxylic acid, 1',2'-dihydro-
CAS Number:
1160247-98-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD12198653
IUPAC Name:
spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid
InChI:
InChI=1S/C14H17NO2/c16-13(17)10-4-5-12-11(8-10)14(9-15-12)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2,(H,16,17)
InChI Key:
AZZTXXRITVXQLB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C1(CCCCC1)CN2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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