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Home > Aldehydes > 216512-70-8
216512-70-8 | 1-Cyclopentene-1-acetaldehyde, 2-formyl-3-methyl- (9CI)
CAS No: 216512-70-8 Catalog No: AG0070EA MDL No:
Product Description
Catalog Number:
AG0070EA
Chemical Name:
1-Cyclopentene-1-acetaldehyde, 2-formyl-3-methyl- (9CI)
CAS Number:
216512-70-8
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
5-methyl-2-(2-oxoethyl)cyclopentene-1-carbaldehyde
InChI:
InChI=1S/C9H12O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-7H,2-4H2,1H3
InChI Key:
RJEBUXWFNKUDOP-UHFFFAOYSA-N
SMILES:
O=CCC1=C(C=O)C(CC1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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