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10203-76-6 | 1-Hepten-3-ol, 5-methyl-, 3-acetate
CAS No: 10203-76-6 Catalog No: AG0006EU MDL No:
Product Description
Catalog Number:
AG0006EU
Chemical Name:
1-Hepten-3-ol, 5-methyl-, 3-acetate
CAS Number:
10203-76-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
5-methylhept-1-en-3-yl acetate
InChI:
InChI=1S/C10H18O2/c1-5-8(3)7-10(6-2)12-9(4)11/h6,8,10H,2,5,7H2,1,3-4H3
InChI Key:
AVERIPYWXSJZPA-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C)CC(CC)C
NSC Number:
78969
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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