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820244-96-0 | 7-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester
CAS No: 820244-96-0 Catalog No: AG005D7A MDL No:
Product Description
Catalog Number:
AG005D7A
Chemical Name:
7-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester
CAS Number:
820244-96-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
methyl 3-hydroxy-7-methyloct-7-enoate
InChI:
InChI=1S/C10H18O3/c1-8(2)5-4-6-9(11)7-10(12)13-3/h9,11H,1,4-7H2,2-3H3
InChI Key:
RBWPLCSWXNREMV-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CCCC(=C)C)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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