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133074-61-0 | 5-Decen-1-ol, 1-acetate
CAS No: 133074-61-0 Catalog No: AG00146V MDL No:
Product Description
Catalog Number:
AG00146V
Chemical Name:
5-Decen-1-ol, 1-acetate
CAS Number:
133074-61-0
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
acetic acid;dec-5-en-1-ol
InChI:
InChI=1S/C10H20O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h5-6,11H,2-4,7-10H2,1H3;1H3,(H,3,4)
InChI Key:
UBRLFHUUTKEWSX-UHFFFAOYSA-N
SMILES:
CCCCC=CCCCCOC(=O)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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