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87296-06-8 | 1-Cyclohexen-1-ol, 2-propyl-, acetate
CAS No: 87296-06-8 Catalog No: AG004P1A MDL No:
Product Description
Catalog Number:
AG004P1A
Chemical Name:
1-Cyclohexen-1-ol, 2-propyl-, acetate
CAS Number:
87296-06-8
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
acetic acid;2-propylcyclohexen-1-ol
InChI:
InChI=1S/C9H16O.C2H4O2/c1-2-5-8-6-3-4-7-9(8)10;1-2(3)4/h10H,2-7H2,1H3;1H3,(H,3,4)
InChI Key:
QKZQOLUEMKJWNI-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCC1=C(O)CCCC1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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