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94201-29-3 | ALPHA,3,5,5-TETRAMETHYLCYCLOPENT-1-ENE-1-PROPIONALDEHYDE
CAS No: 94201-29-3 Catalog No: AG00668Z MDL No:
Product Description
Catalog Number:
AG00668Z
Chemical Name:
ALPHA,3,5,5-TETRAMETHYLCYCLOPENT-1-ENE-1-PROPIONALDEHYDE
CAS Number:
94201-29-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
2-methyl-3-(3,5,5-trimethylcyclopenten-1-yl)propanal
InChI:
InChI=1S/C12H20O/c1-9-5-11(6-10(2)8-13)12(3,4)7-9/h5,8-10H,6-7H2,1-4H3
InChI Key:
XEDQNLKJECJKGT-UHFFFAOYSA-N
SMILES:
O=CC(CC1=CC(CC1(C)C)C)C
EC Number:
303-613-4
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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