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1287218-33-0 | 3-(2-Methylphenyl)oxirane-2-carboxylic acid
CAS No: 1287218-33-0 Catalog No: AG01FAWT MDL No:
Product Description
Catalog Number:
AG01FAWT
Chemical Name:
3-(2-Methylphenyl)oxirane-2-carboxylic acid
CAS Number:
1287218-33-0
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
3-(2-methylphenyl)oxirane-2-carboxylic acid
InChI:
InChI=1S/C10H10O3/c1-6-4-2-3-5-7(6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)
InChI Key:
DELLMYLXWODDBU-UHFFFAOYSA-N
SMILES:
OC(=O)C1OC1c1ccccc1C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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