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Home > Aldehydes > 277752-98-4
277752-98-4 | Benzaldehyde, 4-(1-hydroxy-2-propyn-1-yl)-
CAS No: 277752-98-4 Catalog No: AG002UQ0 MDL No:
Product Description
Catalog Number:
AG002UQ0
Chemical Name:
Benzaldehyde, 4-(1-hydroxy-2-propyn-1-yl)-
CAS Number:
277752-98-4
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
4-(1-hydroxyprop-2-ynyl)benzaldehyde
InChI:
InChI=1S/C10H8O2/c1-2-10(12)9-5-3-8(7-11)4-6-9/h1,3-7,10,12H
InChI Key:
NMMBVNXSEIEVPD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(C#C)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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