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Home > Aldehydes > 100231-76-3
100231-76-3 | 1H-Indenecarboxaldehyde, 2,3,3a,4,5,6-hexahydro-2,2,3a-trimethyl- (9CI)
CAS No: 100231-76-3 Catalog No: AG0001AW MDL No:
Product Description
Catalog Number:
AG0001AW
Chemical Name:
1H-Indenecarboxaldehyde, 2,3,3a,4,5,6-hexahydro-2,2,3a-trimethyl- (9CI)
CAS Number:
100231-76-3
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
2,2,3a-trimethyl-3,4,5,6-tetrahydro-1H-indene-1-carbaldehyde
InChI:
InChI=1S/C13H20O/c1-12(2)9-13(3)7-5-4-6-10(13)11(12)8-14/h6,8,11H,4-5,7,9H2,1-3H3
InChI Key:
GOWIYTQTDKCRDA-UHFFFAOYSA-N
SMILES:
O=CC1C2=CCCCC2(CC1(C)C)C
EC Number:
309-377-9
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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