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72845-38-6 | 3-Penten-1-ol,3-methyl-, 1-propanoate
CAS No: 72845-38-6 Catalog No: AG005E8D MDL No:
Product Description
Catalog Number:
AG005E8D
Chemical Name:
3-Penten-1-ol,3-methyl-, 1-propanoate
CAS Number:
72845-38-6
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
3-methylpent-3-enyl propanoate
InChI:
InChI=1S/C9H16O2/c1-4-8(3)6-7-11-9(10)5-2/h4H,5-7H2,1-3H3
InChI Key:
ZJPCSTFVJLTLHN-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCC(=CC)C
EC Number:
276-930-8
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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