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89005-08-3 | 2-Naphthalenecarboxaldehyde, 3-(hydroxymethyl)-
CAS No: 89005-08-3 Catalog No: AG0088VA MDL No:
Product Description
Catalog Number:
AG0088VA
Chemical Name:
2-Naphthalenecarboxaldehyde, 3-(hydroxymethyl)-
CAS Number:
89005-08-3
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
3-(hydroxymethyl)naphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H10O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-7,14H,8H2
InChI Key:
ZTQQWTWYTPEDIC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2cc1CO
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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