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89822-19-5

89822-19-5 | Cyclopentanone, 3-(3-hydroxybutyl)-4-methyl-

CAS No: 89822-19-5 Catalog No: AG003XMZ MDL No:

Product Description

Catalog Number:
AG003XMZ
Chemical Name:
Cyclopentanone, 3-(3-hydroxybutyl)-4-methyl-
CAS Number:
89822-19-5
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
3-(3-hydroxybutyl)-4-methylcyclopentan-1-one
InChI:
InChI=1S/C10H18O2/c1-7-5-10(12)6-9(7)4-3-8(2)11/h7-9,11H,3-6H2,1-2H3
InChI Key:
AJDNYTFIJCNKFU-UHFFFAOYSA-N
SMILES:
CC1CC(=O)CC1CCC(O)C

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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