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232-54-2 | 1H-Benz[e]indene
CAS No: 232-54-2 Catalog No: AG002MID MDL No:
Product Description
Catalog Number:
AG002MID
Chemical Name:
1H-Benz[e]indene
CAS Number:
232-54-2
Molecular Formula:
C13H10
Molecular Weight:
166.2185
IUPAC Name:
1H-cyclopenta[a]naphthalene
InChI:
InChI=1S/C13H10/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,8-9H,7H2
InChI Key:
KXYGKDBONOVZOM-UHFFFAOYSA-N
SMILES:
C1=Cc2c(C1)c1ccccc1cc2
UNII:
3JM8ZV4N45
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.223g/mol
Monoisotopic Mass:
166.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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