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69891-85-6 | 1,3-Dioxolane-4-butanal, 2,2-dimethyl-
CAS No: 69891-85-6 Catalog No: AG005HAU MDL No:
Product Description
Catalog Number:
AG005HAU
Chemical Name:
1,3-Dioxolane-4-butanal, 2,2-dimethyl-
CAS Number:
69891-85-6
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
4-(2,2-dimethyl-1,3-dioxolan-4-yl)butanal
InChI:
InChI=1S/C9H16O3/c1-9(2)11-7-8(12-9)5-3-4-6-10/h6,8H,3-5,7H2,1-2H3
InChI Key:
HOFKJAPJTNCNJQ-UHFFFAOYSA-N
SMILES:
O=CCCCC1COC(O1)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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