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114440-21-0 | 4,7-Methano-1H-indenone, 3a,4,7,7a-tetrahydro- (9CI)
CAS No: 114440-21-0 Catalog No: AG000EDT MDL No:
Product Description
Catalog Number:
AG000EDT
Chemical Name:
4,7-Methano-1H-indenone, 3a,4,7,7a-tetrahydro- (9CI)
CAS Number:
114440-21-0
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
tricyclo[5.2.1.02,6]deca-3,8-dien-10-one
InChI:
InChI=1S/C10H10O/c11-10-8-4-5-9(10)7-3-1-2-6(7)8/h1-2,4-9H,3H2
InChI Key:
MCMMLGNEUXFJPF-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC1C1C2CC=C1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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