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Home > Aldehydes > 139277-41-1
139277-41-1 | Benzaldehyde, 6-hydroxy-3-nitro-2-(1-propyn-1-yl)-
CAS No: 139277-41-1 Catalog No: AG001AMU MDL No:
Product Description
Catalog Number:
AG001AMU
Chemical Name:
Benzaldehyde, 6-hydroxy-3-nitro-2-(1-propyn-1-yl)-
CAS Number:
139277-41-1
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
6-hydroxy-3-nitro-2-prop-1-ynylbenzaldehyde
InChI:
InChI=1S/C10H7NO4/c1-2-3-7-8(6-12)10(13)5-4-9(7)11(14)15/h4-6,13H,1H3
InChI Key:
HMFFNWLUBJWUOJ-UHFFFAOYSA-N
SMILES:
CC#Cc1c(ccc(c1C=O)O)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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