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88467-60-1 | 1-Naphthalenecarboxaldehyde, 4-(2,3-dihydroxypropoxy)-
CAS No: 88467-60-1 Catalog No: AG008AUA MDL No:
Product Description
Catalog Number:
AG008AUA
Chemical Name:
1-Naphthalenecarboxaldehyde, 4-(2,3-dihydroxypropoxy)-
CAS Number:
88467-60-1
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
4-(2,3-dihydroxypropoxy)naphthalene-1-carbaldehyde
InChI:
InChI=1S/C14H14O4/c15-7-10-5-6-14(18-9-11(17)8-16)13-4-2-1-3-12(10)13/h1-7,11,16-17H,8-9H2
InChI Key:
YFEXSWPCUKCWPC-UHFFFAOYSA-N
SMILES:
OCC(COc1ccc(c2c1cccc2)C=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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