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817-03-8 | 2-Nonen-4-ol, acetate, (E)-
CAS No: 817-03-8 Catalog No: AG005J0N MDL No:
Product Description
Catalog Number:
AG005J0N
Chemical Name:
2-Nonen-4-ol, acetate, (E)-
CAS Number:
817-03-8
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
acetic acid;non-2-en-4-ol
InChI:
InChI=1S/C9H18O.C2H4O2/c1-3-5-6-8-9(10)7-4-2;1-2(3)4/h4,7,9-10H,3,5-6,8H2,1-2H3;1H3,(H,3,4)
InChI Key:
AYCSYBLSYWXGNG-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCC(/C=C/C)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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