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29368-37-4 | 1-Naphthalenecarboxylic acid, 8-(hydroxymethyl)-
CAS No: 29368-37-4 Catalog No: AG002Y6A MDL No:
Product Description
Catalog Number:
AG002Y6A
Chemical Name:
1-Naphthalenecarboxylic acid, 8-(hydroxymethyl)-
CAS Number:
29368-37-4
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
8-(hydroxymethyl)naphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O3/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15/h1-6,13H,7H2,(H,14,15)
InChI Key:
IGZYCTPBTCHMIT-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1c(ccc2)C(=O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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