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88679-83-8 | Benzeneacetaldehyde, 3-(1,3-dioxolan-2-yl)-
CAS No: 88679-83-8 Catalog No: AG0089U0 MDL No:MFCD24675823
Product Description
Catalog Number:
AG0089U0
Chemical Name:
Benzeneacetaldehyde, 3-(1,3-dioxolan-2-yl)-
CAS Number:
88679-83-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD24675823
IUPAC Name:
2-[3-(1,3-dioxolan-2-yl)phenyl]acetaldehyde
InChI:
InChI=1S/C11H12O3/c12-5-4-9-2-1-3-10(8-9)11-13-6-7-14-11/h1-3,5,8,11H,4,6-7H2
InChI Key:
CKRMONKFMJLFHQ-UHFFFAOYSA-N
SMILES:
O=CCc1cccc(c1)C1OCCO1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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