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Home > Other Heterocycles > 29150-13-8
29150-13-8 | Spiro[7H-benzocycloheptene-7,1'-cyclopropane] (8CI,9CI)
CAS No: 29150-13-8 Catalog No: AG002XH1 MDL No:
Product Description
Catalog Number:
AG002XH1
Chemical Name:
Spiro[7H-benzocycloheptene-7,1'-cyclopropane] (8CI,9CI)
CAS Number:
29150-13-8
Molecular Formula:
C13H12
Molecular Weight:
168.2344
IUPAC Name:
spiro[benzo[7]annulene-5,1'-cyclopropane]
InChI:
InChI=1S/C13H12/c1-2-7-12-11(5-1)6-3-4-8-13(12)9-10-13/h1-8H,9-10H2
InChI Key:
MQRCXKKUJOEQKF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C=CC1(C=C2)CC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.239g/mol
Monoisotopic Mass:
168.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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