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1267032-47-2 | 1-(3-METHYLPHENYL)CYCLOPENTANE-1-CARBALDEHYDE
CAS No: 1267032-47-2 Catalog No: AG01EMB6 MDL No:MFCD19347931
Product Description
Catalog Number:
AG01EMB6
Chemical Name:
1-(3-METHYLPHENYL)CYCLOPENTANE-1-CARBALDEHYDE
CAS Number:
1267032-47-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD19347931
IUPAC Name:
1-(3-methylphenyl)cyclopentane-1-carbaldehyde
InChI:
InChI=1S/C13H16O/c1-11-5-4-6-12(9-11)13(10-14)7-2-3-8-13/h4-6,9-10H,2-3,7-8H2,1H3
InChI Key:
TWHBCDHVNKPUDJ-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)c1cccc(c1)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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