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113811-19-1 | 2(1H)-Azulenone, 4,5,6,7,8,8a-hexahydro-4-methyl-, cis- (9CI)
CAS No: 113811-19-1 Catalog No: AG0009RP MDL No:
Product Description
Catalog Number:
AG0009RP
Chemical Name:
2(1H)-Azulenone, 4,5,6,7,8,8a-hexahydro-4-methyl-, cis- (9CI)
CAS Number:
113811-19-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
4-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
InChI:
InChI=1S/C11H16O/c1-8-4-2-3-5-9-6-10(12)7-11(8)9/h7-9H,2-6H2,1H3
InChI Key:
BDHNSXMJCNZLEN-UHFFFAOYSA-N
SMILES:
O=C1C=C2[C@@H](C1)CCCC[C@@H]2C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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