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69282-70-8 | 1,3-Dioxolane-2-acetaldehyde, 2-pentyl-
CAS No: 69282-70-8 Catalog No: AG006NER MDL No:
Product Description
Catalog Number:
AG006NER
Chemical Name:
1,3-Dioxolane-2-acetaldehyde, 2-pentyl-
CAS Number:
69282-70-8
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2-(2-pentyl-1,3-dioxolan-2-yl)acetaldehyde
InChI:
InChI=1S/C10H18O3/c1-2-3-4-5-10(6-7-11)12-8-9-13-10/h7H,2-6,8-9H2,1H3
InChI Key:
NVMIESLNMRQCCP-UHFFFAOYSA-N
SMILES:
CCCCCC1(CC=O)OCCO1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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