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29711-16-8 | 2-Cyclopenten-1-one, 2-(3-methylbutyl)-
CAS No: 29711-16-8 Catalog No: AG002Z6Y MDL No:
Product Description
Catalog Number:
AG002Z6Y
Chemical Name:
2-Cyclopenten-1-one, 2-(3-methylbutyl)-
CAS Number:
29711-16-8
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
2-(3-methylbutyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h4,8H,3,5-7H2,1-2H3
InChI Key:
BVUSMSOTLWGFKV-UHFFFAOYSA-N
SMILES:
CC(CCC1=CCCC1=O)C
EC Number:
249-797-9
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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