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141-09-3 | 7-Octen-1-ol, 3,7-dimethyl-, 1-formate
CAS No: 141-09-3 Catalog No: AG001FPY MDL No:
Product Description
Catalog Number:
AG001FPY
Chemical Name:
7-Octen-1-ol, 3,7-dimethyl-, 1-formate
CAS Number:
141-09-3
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
3,7-dimethyloct-7-enyl formate
InChI:
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3
InChI Key:
VMBKZHMLQXCNCP-UHFFFAOYSA-N
SMILES:
O=COCCC(CCCC(=C)C)C
EC Number:
205-456-6
FEMA Number:
2984
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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