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252771-08-7 | 5-Ethynyl-2-hydroxybenzaldehyde
CAS No: 252771-08-7 Catalog No: AG00349I MDL No:MFCD18824475
Product Description
Catalog Number:
AG00349I
Chemical Name:
5-Ethynyl-2-hydroxybenzaldehyde
CAS Number:
252771-08-7
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
MDL Number:
MFCD18824475
IUPAC Name:
5-ethynyl-2-hydroxybenzaldehyde
InChI:
InChI=1S/C9H6O2/c1-2-7-3-4-9(11)8(5-7)6-10/h1,3-6,11H
InChI Key:
PQXSLYBFDHBCSW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#C)ccc1O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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