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40071-07-6 | Propanedial, 2-benzoxazolyl-
CAS No: 40071-07-6 Catalog No: AG00I7UP MDL No:MFCD00216526
Product Description
Catalog Number:
AG00I7UP
Chemical Name:
Propanedial, 2-benzoxazolyl-
CAS Number:
40071-07-6
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00216526
IUPAC Name:
2-(1,3-benzoxazol-2-yl)propanedial
InChI:
InChI=1S/C10H7NO3/c12-5-7(6-13)10-11-8-3-1-2-4-9(8)14-10/h1-7H
InChI Key:
MEERYQZEXZMOGC-UHFFFAOYSA-N
SMILES:
O=CC(c1nc2c(o1)cccc2)C=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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