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79913-38-5 | Benzoic acid, 4-(4,5-dihydro-3-isoxazolyl)-, methyl ester
CAS No: 79913-38-5 Catalog No: AG004Z9L MDL No:
Product Description
Catalog Number:
AG004Z9L
Chemical Name:
Benzoic acid, 4-(4,5-dihydro-3-isoxazolyl)-, methyl ester
CAS Number:
79913-38-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
methyl 4-(4,5-dihydro-1,2-oxazol-3-yl)benzoate
InChI:
InChI=1S/C11H11NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-7-15-12-10/h2-5H,6-7H2,1H3
InChI Key:
HBZFBIXELKWPII-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1=NOCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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