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Home > Aldehydes > 127793-59-3
127793-59-3 | 1,3-Dioxolane-4-acetaldehyde, 2,2-diethyl-, (4S)-
CAS No: 127793-59-3 Catalog No: AG000XEX MDL No:
Product Description
Catalog Number:
AG000XEX
Chemical Name:
1,3-Dioxolane-4-acetaldehyde, 2,2-diethyl-, (4S)-
CAS Number:
127793-59-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
InChI:
InChI=1S/C9H16O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChI Key:
CGOIZNJIWPMMLQ-QMMMGPOBSA-N
SMILES:
CCC1(CC)OC[C@@H](O1)CC=O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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