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114390-53-3 | 2(1H)-Azulenone, octahydro-, trans- (9CI)
CAS No: 114390-53-3 Catalog No: AG000B8M MDL No:
Product Description
Catalog Number:
AG000B8M
Chemical Name:
2(1H)-Azulenone, octahydro-, trans- (9CI)
CAS Number:
114390-53-3
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-2-one
InChI:
InChI=1S/C10H16O/c11-10-6-8-4-2-1-3-5-9(8)7-10/h8-9H,1-7H2
InChI Key:
JUCWGQDAFCFNEP-UHFFFAOYSA-N
SMILES:
O=C1C[C@H]2[C@H](C1)CCCCC2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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