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14180-10-0 | Benzoic acid, 4-[[(phenylmethoxy)carbonyl]oxy]-
CAS No: 14180-10-0 Catalog No: AG001H7Q MDL No:
Product Description
Catalog Number:
AG001H7Q
Chemical Name:
Benzoic acid, 4-[[(phenylmethoxy)carbonyl]oxy]-
CAS Number:
14180-10-0
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
4-phenylmethoxycarbonyloxybenzoic acid
InChI:
InChI=1S/C15H12O5/c16-14(17)12-6-8-13(9-7-12)20-15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChI Key:
GAHWOZNGFZSNJC-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)C(=O)O)OCc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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