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16315-63-2 | Benzaldehyde, 2-(2-oxiranylmethoxy)-
CAS No: 16315-63-2 Catalog No: AG001TTM MDL No:
Product Description
Catalog Number:
AG001TTM
Chemical Name:
Benzaldehyde, 2-(2-oxiranylmethoxy)-
CAS Number:
16315-63-2
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-(oxiran-2-ylmethoxy)benzaldehyde
InChI:
InChI=1S/C10H10O3/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-5,9H,6-7H2
InChI Key:
HZKXFLZMKWMMNG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCC1CO1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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