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1026821-81-7 | 3-(1,3-benzoxazol-2-yl)propanal
CAS No: 1026821-81-7 Catalog No: AG01AIQ6 MDL No:MFCD18917370
Product Description
Catalog Number:
AG01AIQ6
Chemical Name:
3-(1,3-benzoxazol-2-yl)propanal
CAS Number:
1026821-81-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD18917370
IUPAC Name:
3-(1,3-benzoxazol-2-yl)propanal
InChI:
InChI=1S/C10H9NO2/c12-7-3-6-10-11-8-4-1-2-5-9(8)13-10/h1-2,4-5,7H,3,6H2
InChI Key:
NIKSOAWAPOLTQP-UHFFFAOYSA-N
SMILES:
O=CCCc1nc2c(o1)cccc2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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