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185030-45-9 | 2-Pentalenecarboxaldehyde, octahydro-
CAS No: 185030-45-9 Catalog No: AG0074QF MDL No:
Product Description
Catalog Number:
AG0074QF
Chemical Name:
2-Pentalenecarboxaldehyde, octahydro-
CAS Number:
185030-45-9
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbaldehyde
InChI:
InChI=1S/C9H14O/c10-6-7-4-8-2-1-3-9(8)5-7/h6-9H,1-5H2
InChI Key:
ZAOKSGRIAGOZJA-UHFFFAOYSA-N
SMILES:
O=CC1CC2C(C1)CCC2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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